3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride

C14H21ClN4O3 — CID 119779701

IUPAC3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1cc(NC(=O)C2CCC(N)C2)ccc1NC(N)=O.Cl
InChIInChI=1S/C14H20N4O3.ClH/c1-21-12-7-10(4-5-11(12)18-14(16)20)17-13(19)8-2-3-9(15)6-8;/h4-5,7-9H,2-3,6,15H2,1H3,(H,17,19)(H3,16,18,20);1H
InChIKeyJYZFENZTAJJVIN-UHFFFAOYSA-N
MW328.80 g/mol
LogP1.67
Rot. Bonds4

About 3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119779701) has the molecular formula C14H21ClN4O3 and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119779701
Molecular FormulaC14H21ClN4O3
Molecular Weight328.80 g/mol
Exact Mass328.13
IUPAC Name3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1cc(NC(=O)C2CCC(N)C2)ccc1NC(N)=O.Cl
InChIInChI=1S/C14H20N4O3.ClH/c1-21-12-7-10(4-5-11(12)18-14(16)20)17-13(19)8-2-3-9(15)6-8;/h4-5,7-9H,2-3,6,15H2,1H3,(H,17,19)(H3,16,18,20);1H
InChIKeyJYZFENZTAJJVIN-UHFFFAOYSA-N
XLogP1.67
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
CID 66030500
3-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 66009363
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 119791343
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 119696247
3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
CID 104848920
3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 114839686
N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
CID 119700272
3-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119766638
methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
CID 119671365

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119779701) is 3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride is COc1cc(NC(=O)C2CCC(N)C2)ccc1NC(N)=O.Cl.
What is the InChIKey of 3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is JYZFENZTAJJVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3.ClH/c1-21-12-7-10(4-5-11(12)18-14(16)20)17-13(19)8-2-3-9(15)6-8;/h4-5,7-9H,2-3,6,15H2,1H3,(H,17,19)(H3,16,18,20);1H.
What are the key properties of 3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 328.80 g/mol, XLogP of 1.67, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119779701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).