2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide

C23H30N4O2 — CID 120669658

IUPAC2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cc1
InChIInChI=1S/C23H30N4O2/c1-17-6-8-18(9-7-17)22(24)23(29)26-20-12-10-19(11-13-20)25-21(28)16-27-14-4-2-3-5-15-27/h6-13,22H,2-5,14-16,24H2,1H3,(H,25,28)(H,26,29)
InChIKeyDWZOMIRVVQNBGA-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.45
Rot. Bonds6

About 2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide

2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide (PubChem CID 120669658) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide
PubChem CID120669658
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cc1
InChIInChI=1S/C23H30N4O2/c1-17-6-8-18(9-7-17)22(24)23(29)26-20-12-10-19(11-13-20)25-21(28)16-27-14-4-2-3-5-15-27/h6-13,22H,2-5,14-16,24H2,1H3,(H,25,28)(H,26,29)
InChIKeyDWZOMIRVVQNBGA-UHFFFAOYSA-N
XLogP3.45
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide
CID 119871125
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814594
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide
CID 119865151
(2S)-2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3,3-dimethylbutanamide
CID 119871145
3-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylbutanamide;dihydrochloride
CID 120502947
2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667664
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide;dihydrochloride
CID 119865150
2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 106151650
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 120666920
N-[4-[1-(4-hydroxyphenyl)ethyl]phenyl]-2-piperidin-1-ylacetamide
CID 145430137
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 120666693
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide (CID 120669658) is 2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)Nc2ccc(NC(=O)CN3CCCCCC3)cc2)cc1.
What is the InChIKey of 2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide?
The InChIKey is DWZOMIRVVQNBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-6-8-18(9-7-17)22(24)23(29)26-20-12-10-19(11-13-20)25-21(28)16-27-14-4-2-3-5-15-27/h6-13,22H,2-5,14-16,24H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide?
2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 120669658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).