1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide

C15H21N3O4 — CID 119286080

IUPAC1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N)CCCC2)cc1OCC(N)=O
InChIInChI=1S/C15H21N3O4/c1-21-11-5-4-10(8-12(11)22-9-13(16)19)18-14(20)15(17)6-2-3-7-15/h4-5,8H,2-3,6-7,9,17H2,1H3,(H2,16,19)(H,18,20)
InChIKeyALYPKIXLHZYRAB-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.77
Rot. Bonds6

About 1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide

1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide (PubChem CID 119286080) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
PubChem CID119286080
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N)CCCC2)cc1OCC(N)=O
InChIInChI=1S/C15H21N3O4/c1-21-11-5-4-10(8-12(11)22-9-13(16)19)18-14(20)15(17)6-2-3-7-15/h4-5,8H,2-3,6-7,9,17H2,1H3,(H2,16,19)(H,18,20)
InChIKeyALYPKIXLHZYRAB-UHFFFAOYSA-N
XLogP0.77
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
1-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717596
4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208023
1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119298259
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide
CID 60852261
3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 64892534
4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide
CID 115293945
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide
CID 55744161
1-amino-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
CID 119329926
1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119285029
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55744262
methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride
CID 119283545

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide (CID 119286080) is 1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide is COc1ccc(NC(=O)C2(N)CCCC2)cc1OCC(N)=O.
What is the InChIKey of 1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide?
The InChIKey is ALYPKIXLHZYRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-21-11-5-4-10(8-12(11)22-9-13(16)19)18-14(20)15(17)6-2-3-7-15/h4-5,8H,2-3,6-7,9,17H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of 1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide?
1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119286080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).