N-[3-[1-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide

C23H29N3O2 — CID 43065532

IUPACN-[3-[1-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide
SMILESCC(NC(=O)CN(C)C(C)c1cccc(NC(=O)c2ccccc2)c1)C1CC1
InChIInChI=1S/C23H29N3O2/c1-16(18-12-13-18)24-22(27)15-26(3)17(2)20-10-7-11-21(14-20)25-23(28)19-8-5-4-6-9-19/h4-11,14,16-18H,12-13,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyYGNRZDDHLOZDKC-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.85
Rot. Bonds8

About N-[3-[1-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide

N-[3-[1-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide (PubChem CID 43065532) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-[1-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide
PubChem CID43065532
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-[1-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide
SMILESCC(NC(=O)CN(C)C(C)c1cccc(NC(=O)c2ccccc2)c1)C1CC1
InChIInChI=1S/C23H29N3O2/c1-16(18-12-13-18)24-22(27)15-26(3)17(2)20-10-7-11-21(14-20)25-23(28)19-8-5-4-6-9-19/h4-11,14,16-18H,12-13,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyYGNRZDDHLOZDKC-UHFFFAOYSA-N
XLogP3.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide
CID 46508658
ethyl 4-[2-[1-(3-benzamidophenyl)ethyl-methylamino]acetyl]piperazine-1-carboxylate
CID 46688232
N-[3-[(1S)-1-[cyclopentanecarbonyl(methyl)amino]ethyl]phenyl]benzamide
CID 51930710
N-[3-[1-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide
CID 46688160
N-[3-[(1R)-1-[cyclopentylmethylcarbamoyl(methyl)amino]ethyl]phenyl]benzamide
CID 94122244
4-benzamido-N-[1-(3-benzamidophenyl)ethyl]-N-methylbenzamide
CID 46537045
4-benzamido-N-(1-cyclopropylethyl)benzamide
CID 134006926
N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide
CID 46456437
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
N-[3-[1-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]ethyl]phenyl]benzamide
CID 46515509
N-[3-[(1R)-1-[[2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]-methylamino]ethyl]phenyl]benzamide
CID 51728404
1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea
CID 47133190

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[1-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide (CID 43065532) is N-[3-[1-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[1-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[1-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide is CC(NC(=O)CN(C)C(C)c1cccc(NC(=O)c2ccccc2)c1)C1CC1.
What is the InChIKey of N-[3-[1-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide?
The InChIKey is YGNRZDDHLOZDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16(18-12-13-18)24-22(27)15-26(3)17(2)20-10-7-11-21(14-20)25-23(28)19-8-5-4-6-9-19/h4-11,14,16-18H,12-13,15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[3-[1-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide?
N-[3-[1-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[2-(1-cyclopropylethylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide is sourced from PubChem (CID 43065532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).