1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea

C22H29N3O — CID 175120316

IUPAC1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea
SMILESCN(C)C(CNC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccccc1
InChIInChI=1S/C22H29N3O/c1-25(2)20(15-17-9-5-3-6-10-17)16-23-22(26)24-21(19-13-14-19)18-11-7-4-8-12-18/h3-12,19-21H,13-16H2,1-2H3,(H2,23,24,26)/t20?,21-/m1/s1
InChIKeyGSVQFTXHXQUWDK-BPGUCPLFSA-N
MW351.49 g/mol
LogP3.61
Rot. Bonds8

About 1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea

1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea (PubChem CID 175120316) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea.

Molecular Properties

Compound Name1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea
PubChem CID175120316
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea
SMILESCN(C)C(CNC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccccc1
InChIInChI=1S/C22H29N3O/c1-25(2)20(15-17-9-5-3-6-10-17)16-23-22(26)24-21(19-13-14-19)18-11-7-4-8-12-18/h3-12,19-21H,13-16H2,1-2H3,(H2,23,24,26)/t20?,21-/m1/s1
InChIKeyGSVQFTXHXQUWDK-BPGUCPLFSA-N
XLogP3.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
CID 42886062
1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 166180346
1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103915
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535
1-[(S)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257538
3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide
CID 95663638
1-[2-(dimethylamino)-3-phenylpropyl]-3-(3,3,3-trifluoropropyl)urea
CID 167893298
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 78879839
1-[cyclopropyl(phenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892838
N-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide
CID 99792859
N-benzyl-N'-[(R)-cyclopropyl(phenyl)methyl]oxamide
CID 99792858
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea?
The IUPAC name of 1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea (CID 175120316) is 1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea.
What is the SMILES notation for 1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea?
The canonical SMILES for 1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea is CN(C)C(CNC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccccc1.
What is the InChIKey of 1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea?
The InChIKey is GSVQFTXHXQUWDK-BPGUCPLFSA-N. The full InChI is InChI=1S/C22H29N3O/c1-25(2)20(15-17-9-5-3-6-10-17)16-23-22(26)24-21(19-13-14-19)18-11-7-4-8-12-18/h3-12,19-21H,13-16H2,1-2H3,(H2,23,24,26)/t20?,21-/m1/s1.
What are the key properties of 1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea?
1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea has a molecular weight of 351.49 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea is sourced from PubChem (CID 175120316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).