1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide

C14H19N3O3 — CID 60852261

IUPAC1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)C2(N)CCCC2)c1
InChIInChI=1S/C14H19N3O3/c15-12(18)9-20-11-5-3-4-10(8-11)17-13(19)14(16)6-1-2-7-14/h3-5,8H,1-2,6-7,9,16H2,(H2,15,18)(H,17,19)
InChIKeyNGXVEGMGGBTPAM-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.76
Rot. Bonds5

About 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide

1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide (PubChem CID 60852261) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide
PubChem CID60852261
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)C2(N)CCCC2)c1
InChIInChI=1S/C14H19N3O3/c15-12(18)9-20-11-5-3-4-10(8-11)17-13(19)14(16)6-1-2-7-14/h3-5,8H,1-2,6-7,9,16H2,(H2,15,18)(H,17,19)
InChIKeyNGXVEGMGGBTPAM-UHFFFAOYSA-N
XLogP0.76
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119702073
2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 81169639
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891125
1-amino-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclohexane-1-carboxamide
CID 119284187
1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide
CID 119303127
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
1-amino-N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119302175
1-amino-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 60867410
1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 119286080
1-amino-N-[3-(2-methylpropoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119714874
1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119298259
1-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxamide
CID 65464434

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide (CID 60852261) is 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide is NC(=O)COc1cccc(NC(=O)C2(N)CCCC2)c1.
What is the InChIKey of 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide?
The InChIKey is NGXVEGMGGBTPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-12(18)9-20-11-5-3-4-10(8-11)17-13(19)14(16)6-1-2-7-14/h3-5,8H,1-2,6-7,9,16H2,(H2,15,18)(H,17,19).
What are the key properties of 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide?
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 60852261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).