(3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide

C20H24N4O2 — CID 70107812

IUPAC(3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide
SMILESCc1ccccc1NC(=O)Nc1ccc(NC(=O)C2CC[C@H](N)C2)cc1
InChIInChI=1S/C20H24N4O2/c1-13-4-2-3-5-18(13)24-20(26)23-17-10-8-16(9-11-17)22-19(25)14-6-7-15(21)12-14/h2-5,8-11,14-15H,6-7,12,21H2,1H3,(H,22,25)(H2,23,24,26)/t14?,15-/m0/s1
InChIKeyYOWHSLUGNQMUNG-LOACHALJSA-N
MW352.44 g/mol
LogP3.70
Rot. Bonds4

About (3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide

(3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide (PubChem CID 70107812) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide
PubChem CID70107812
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide
SMILESCc1ccccc1NC(=O)Nc1ccc(NC(=O)C2CC[C@H](N)C2)cc1
InChIInChI=1S/C20H24N4O2/c1-13-4-2-3-5-18(13)24-20(26)23-17-10-8-16(9-11-17)22-19(25)14-6-7-15(21)12-14/h2-5,8-11,14-15H,6-7,12,21H2,1H3,(H,22,25)(H2,23,24,26)/t14?,15-/m0/s1
InChIKeyYOWHSLUGNQMUNG-LOACHALJSA-N
XLogP3.70
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
5-[[(1S,3R)-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]carbamoyl]cyclopentyl]amino]-5-oxo-3-phenylpentanoic acid
CID 142134586
cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 91900837
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
1-N-(4-cyanophenyl)-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150405
3-amino-N-(2-ethyl-6-methylphenyl)cyclopentane-1-carboxamide
CID 66032656
3-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 66030489

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of (3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide (CID 70107812) is (3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for (3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for (3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide is Cc1ccccc1NC(=O)Nc1ccc(NC(=O)C2CC[C@H](N)C2)cc1.
What is the InChIKey of (3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide?
The InChIKey is YOWHSLUGNQMUNG-LOACHALJSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-4-2-3-5-18(13)24-20(26)23-17-10-8-16(9-11-17)22-19(25)14-6-7-15(21)12-14/h2-5,8-11,14-15H,6-7,12,21H2,1H3,(H,22,25)(H2,23,24,26)/t14?,15-/m0/s1.
What are the key properties of (3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide?
(3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-[4-[(2-methylphenyl)carbamoylamino]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 70107812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).