(2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide

C17H25N3O2 — CID 95326754

IUPAC(2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide
SMILESCc1cccc(C2(CNC(=O)[C@@H](C)NC(N)=O)CCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-12-6-5-7-14(10-12)17(8-3-4-9-17)11-19-15(21)13(2)20-16(18)22/h5-7,10,13H,3-4,8-9,11H2,1-2H3,(H,19,21)(H3,18,20,22)/t13-/m1/s1
InChIKeyJINYBGVCNVMFEA-CYBMUJFWSA-N
MW303.41 g/mol
LogP1.98
Rot. Bonds5

About (2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide

(2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide (PubChem CID 95326754) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide
PubChem CID95326754
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide
SMILESCc1cccc(C2(CNC(=O)[C@@H](C)NC(N)=O)CCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-12-6-5-7-14(10-12)17(8-3-4-9-17)11-19-15(21)13(2)20-16(18)22/h5-7,10,13H,3-4,8-9,11H2,1-2H3,(H,19,21)(H3,18,20,22)/t13-/m1/s1
InChIKeyJINYBGVCNVMFEA-CYBMUJFWSA-N
XLogP1.98
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
CID 95322111
4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120560680
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
(2S)-2-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119315991
7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119770559
1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
CID 110936718
1-[[1-(3-methylphenyl)cyclopentyl]methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 95276095
(2R)-2-amino-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119303910
(2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 32704805
2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 24643360
(2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 71982060
(2R,3S)-2-(carbamoylamino)-3-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide
CID 94615950

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide (CID 95326754) is (2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide is Cc1cccc(C2(CNC(=O)[C@@H](C)NC(N)=O)CCCC2)c1.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide?
The InChIKey is JINYBGVCNVMFEA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-6-5-7-14(10-12)17(8-3-4-9-17)11-19-15(21)13(2)20-16(18)22/h5-7,10,13H,3-4,8-9,11H2,1-2H3,(H,19,21)(H3,18,20,22)/t13-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide?
(2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide has a molecular weight of 303.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide is sourced from PubChem (CID 95326754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).