1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-[(3S)-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea

C24H41N3O3 — CID 143315152

IUPAC1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-[(3S)-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea
SMILESCC1[C@@H](C)CCN1C(=O)C(NC(=O)NC(C(=O)C1CC1)C1CCCCC1)C(C)(C)C
InChIInChI=1S/C24H41N3O3/c1-15-13-14-27(16(15)2)22(29)21(24(3,4)5)26-23(30)25-19(20(28)18-11-12-18)17-9-7-6-8-10-17/h15-19,21H,6-14H2,1-5H3,(H2,25,26,30)/t15-,16?,19?,21?/m0/s1
InChIKeySEOWTLDBMPSFTL-UNOPHUPUSA-N
MW419.61 g/mol
LogP3.89
Rot. Bonds6

About 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-[(3S)-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea

1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-[(3S)-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea (PubChem CID 143315152) has the molecular formula C24H41N3O3 and a molecular weight of 419.61 g/mol. Its IUPAC name is 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-[(3S)-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea.

Molecular Properties

Compound Name1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-[(3S)-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea
PubChem CID143315152
Molecular FormulaC24H41N3O3
Molecular Weight419.61 g/mol
Exact Mass419.31
IUPAC Name1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-[(3S)-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea
SMILESCC1[C@@H](C)CCN1C(=O)C(NC(=O)NC(C(=O)C1CC1)C1CCCCC1)C(C)(C)C
InChIInChI=1S/C24H41N3O3/c1-15-13-14-27(16(15)2)22(29)21(24(3,4)5)26-23(30)25-19(20(28)18-11-12-18)17-9-7-6-8-10-17/h15-19,21H,6-14H2,1-5H3,(H2,25,26,30)/t15-,16?,19?,21?/m0/s1
InChIKeySEOWTLDBMPSFTL-UNOPHUPUSA-N
XLogP3.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.61
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-[(3S)-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea with MolForge

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Related Compounds

(2S,3R)-1-[(2S)-2-[[(1S)-1-cyclohexyl-2-cyclopropyl-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-3-propan-2-ylpyrrolidine-2-carboxamide
CID 149420872
(1R,2S,5S)-N-(1-amino-6,6,6-trifluoro-1,2-dioxohexan-3-yl)-3-[(2S)-2-[[(1S)-1-cyclohexyl-2-cyclopropyl-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 58845762
(2S,3R)-1-[(2S)-2-[[(1S)-1-cyclohexyl-2-cyclopropyl-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)undecan-3-yl]-3-propan-2-ylpyrrolidine-2-carboxamide
CID 143101676
(1R,2S,5S)-3-[(2S)-2-[[(1S)-1-cyclohexyl-2-cyclopropyl-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-N-[6,6,6-trifluoro-1-(methylamino)-1,2-dioxohexan-3-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 58845821
(1R,2S,5S)-3-[(2S)-2-[[(1S)-1-cyclohexyl-2-cyclopropyl-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)pentan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 89043217
tert-butyl 2-[[2-[2-[(4-amino-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoate;methylcyclobutane;propane
CID 143101691
(2S)-N-[(2S)-1-[(3R,3aS,6aR)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-2-(methylamino)acetamide
CID 59428198
N-[1-(2,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110016102
1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-(2,3-dihydro-1H-inden-2-yl)-2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]urea
CID 143360196
1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-(cyclopropanecarbonyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-6-carboxylic acid
CID 67280654
tert-butyl (2S)-2-[[(1S)-2-[(2S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-(dichloromethyl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoate
CID 143357445
1-(1-cyclohexyl-2-oxo-2-phenylethyl)-3-[1-(2-formyl-4-propan-2-ylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea
CID 143361374

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-[(3S)-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea?
The IUPAC name of 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-[(3S)-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea (CID 143315152) is 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-[(3S)-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea.
What is the SMILES notation for 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-[(3S)-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea?
The canonical SMILES for 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-[(3S)-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea is CC1[C@@H](C)CCN1C(=O)C(NC(=O)NC(C(=O)C1CC1)C1CCCCC1)C(C)(C)C.
What is the InChIKey of 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-[(3S)-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea?
The InChIKey is SEOWTLDBMPSFTL-UNOPHUPUSA-N. The full InChI is InChI=1S/C24H41N3O3/c1-15-13-14-27(16(15)2)22(29)21(24(3,4)5)26-23(30)25-19(20(28)18-11-12-18)17-9-7-6-8-10-17/h15-19,21H,6-14H2,1-5H3,(H2,25,26,30)/t15-,16?,19?,21?/m0/s1.
What are the key properties of 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-[(3S)-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea?
1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-[(3S)-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea has a molecular weight of 419.61 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-2-cyclopropyl-2-oxoethyl)-3-[1-[(3S)-2,3-dimethylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]urea is sourced from PubChem (CID 143315152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).