3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide

C18H27N3O2 — CID 95663638

IUPAC3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)N[C@@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C18H27N3O2/c1-21(2)16(22)12-13-19-18(23)20-17(15-10-6-7-11-15)14-8-4-3-5-9-14/h3-5,8-9,15,17H,6-7,10-13H2,1-2H3,(H2,19,20,23)/t17-/m0/s1
InChIKeyBELZGGPNWOBQOZ-KRWDZBQOSA-N
MW317.43 g/mol
LogP2.70
Rot. Bonds6

About 3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide

3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide (PubChem CID 95663638) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide
PubChem CID95663638
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)N[C@@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C18H27N3O2/c1-21(2)16(22)12-13-19-18(23)20-17(15-10-6-7-11-15)14-8-4-3-5-9-14/h3-5,8-9,15,17H,6-7,10-13H2,1-2H3,(H2,19,20,23)/t17-/m0/s1
InChIKeyBELZGGPNWOBQOZ-KRWDZBQOSA-N
XLogP2.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea
CID 95573065
3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide
CID 122566906
1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
CID 42886062
1-[(S)-cyclopropyl(phenyl)methyl]-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 175120316
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
1-[(R)-cyclobutyl(phenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95318618
1-[cyclopentyl(phenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110901396
1-[(S)-cyclohexyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 95572794
1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 51469803
2-[[(S)-cyclohexyl(phenyl)methyl]carbamoylamino]propanediamide
CID 94187456
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide
CID 51091250

Frequently Asked Questions

What is the IUPAC name of 3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide (CID 95663638) is 3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNC(=O)N[C@@H](c1ccccc1)C1CCCC1.
What is the InChIKey of 3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide?
The InChIKey is BELZGGPNWOBQOZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-21(2)16(22)12-13-19-18(23)20-17(15-10-6-7-11-15)14-8-4-3-5-9-14/h3-5,8-9,15,17H,6-7,10-13H2,1-2H3,(H2,19,20,23)/t17-/m0/s1.
What are the key properties of 3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide?
3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide has a molecular weight of 317.43 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 95663638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).