1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride

C21H26ClN3O4 — CID 119298259

IUPAC1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccccc1OCC(=O)Nc1cccc(NC(=O)C2(N)CCCC2)c1.Cl
InChIInChI=1S/C21H25N3O4.ClH/c1-27-17-9-2-3-10-18(17)28-14-19(25)23-15-7-6-8-16(13-15)24-20(26)21(22)11-4-5-12-21;/h2-3,6-10,13H,4-5,11-12,14,22H2,1H3,(H,23,25)(H,24,26);1H
InChIKeyYTZJHGPIPDNFII-UHFFFAOYSA-N
MW419.91 g/mol
LogP3.34
Rot. Bonds7

About 1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119298259) has the molecular formula C21H26ClN3O4 and a molecular weight of 419.91 g/mol. Its IUPAC name is 1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119298259
Molecular FormulaC21H26ClN3O4
Molecular Weight419.91 g/mol
Exact Mass419.16
IUPAC Name1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccccc1OCC(=O)Nc1cccc(NC(=O)C2(N)CCCC2)c1.Cl
InChIInChI=1S/C21H25N3O4.ClH/c1-27-17-9-2-3-10-18(17)28-14-19(25)23-15-7-6-8-16(13-15)24-20(26)21(22)11-4-5-12-21;/h2-3,6-10,13H,4-5,11-12,14,22H2,1H3,(H,23,25)(H,24,26);1H
InChIKeyYTZJHGPIPDNFII-UHFFFAOYSA-N
XLogP3.34
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 119286080
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide
CID 60852261
2,5-dimethoxy-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 55886827
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-(4-methylphenyl)propanamide
CID 60535941
2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride
CID 119739656
1-amino-N-[3-(methoxymethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288741
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119702073
butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate
CID 19165843
4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide
CID 55865042
2-(2-methoxyphenoxy)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 17079559

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119298259) is 1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride is COc1ccccc1OCC(=O)Nc1cccc(NC(=O)C2(N)CCCC2)c1.Cl.
What is the InChIKey of 1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is YTZJHGPIPDNFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4.ClH/c1-27-17-9-2-3-10-18(17)28-14-19(25)23-15-7-6-8-16(13-15)24-20(26)21(22)11-4-5-12-21;/h2-3,6-10,13H,4-5,11-12,14,22H2,1H3,(H,23,25)(H,24,26);1H.
What are the key properties of 1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 419.91 g/mol, XLogP of 3.34, 7 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-(2-methoxyphenoxy)acetyl]amino]phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119298259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).