N-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide

C22H27N3O3 — CID 119327991

IUPACN-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide
SMILESCOc1ccc(NC(=O)C(N)c2ccccc2)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C22H27N3O3/c1-28-19-13-12-17(24-22(27)20(23)15-8-4-2-5-9-15)14-18(19)25-21(26)16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16,20H,3,6-7,10-11,23H2,1H3,(H,24,27)(H,25,26)
InChIKeyBEZKQUOTDOJAPY-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.85
Rot. Bonds6

About N-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide

N-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide (PubChem CID 119327991) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide
PubChem CID119327991
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide
SMILESCOc1ccc(NC(=O)C(N)c2ccccc2)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C22H27N3O3/c1-28-19-13-12-17(24-22(27)20(23)15-8-4-2-5-9-15)14-18(19)25-21(26)16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16,20H,3,6-7,10-11,23H2,1H3,(H,24,27)(H,25,26)
InChIKeyBEZKQUOTDOJAPY-UHFFFAOYSA-N
XLogP3.85
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(3-amino-2-methylbutanoyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 120501094
3-[3-(cyclohexanecarbonylamino)-4-methoxyanilino]-2-methyl-3-oxopropanoic acid
CID 138001716
2-amino-N-(3,4-dimethoxyphenyl)-2-phenylacetamide
CID 24703599
2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride
CID 119945563
N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 119791343
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
N-[4-[2-(5-chloro-2-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 23100911
N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide
CID 51370675
(2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide
CID 81425486
3-(cyclopentanecarbonylamino)-4-methoxy-N-phenylbenzamide
CID 70686592
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide (CID 119327991) is N-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide is COc1ccc(NC(=O)C(N)c2ccccc2)cc1NC(=O)C1CCCCC1.
What is the InChIKey of N-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide?
The InChIKey is BEZKQUOTDOJAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-28-19-13-12-17(24-22(27)20(23)15-8-4-2-5-9-15)14-18(19)25-21(26)16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16,20H,3,6-7,10-11,23H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide?
N-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-amino-2-phenylacetyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 119327991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).