2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride

C22H28ClN3O2 — CID 120667664

IUPAC2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-16-6-8-17(9-7-16)20(23)21(26)24-19-12-10-18(11-13-19)22(27)25-14-4-2-3-5-15-25;/h6-13,20H,2-5,14-15,23H2,1H3,(H,24,26);1H
InChIKeyFBCSEJZWOOEHLW-UHFFFAOYSA-N
MW401.94 g/mol
LogP4.07
Rot. Bonds4

About 2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride

2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 120667664) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
PubChem CID120667664
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-16-6-8-17(9-7-16)20(23)21(26)24-19-12-10-18(11-13-19)22(27)25-14-4-2-3-5-15-25;/h6-13,20H,2-5,14-15,23H2,1H3,(H,24,26);1H
InChIKeyFBCSEJZWOOEHLW-UHFFFAOYSA-N
XLogP4.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 120667122
2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide
CID 120669658
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 61259063
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
2-amino-2-(4-methylphenyl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 120666535
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 120666920
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]pentanamide;hydrochloride
CID 119278079
2-amino-2-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide;hydrochloride
CID 120667266
2-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 6468250
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 120666693
2-amino-2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120667005
2-amino-2-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 120666734

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride (CID 120667664) is 2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride is Cc1ccc(C(N)C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc1.Cl.
What is the InChIKey of 2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is FBCSEJZWOOEHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-16-6-8-17(9-7-16)20(23)21(26)24-19-12-10-18(11-13-19)22(27)25-14-4-2-3-5-15-25;/h6-13,20H,2-5,14-15,23H2,1H3,(H,24,26);1H.
What are the key properties of 2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride?
2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120667664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).