2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide

C23H31N3O — CID 120669979

IUPAC2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCc2cccc(CN3CCCCCC3)c2)cc1
InChIInChI=1S/C23H31N3O/c1-18-9-11-21(12-10-18)22(24)23(27)25-16-19-7-6-8-20(15-19)17-26-13-4-2-3-5-14-26/h6-12,15,22H,2-5,13-14,16-17,24H2,1H3,(H,25,27)
InChIKeyFKEXNBNNNNAALQ-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.69
Rot. Bonds6

About 2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide

2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide (PubChem CID 120669979) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
PubChem CID120669979
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCc2cccc(CN3CCCCCC3)c2)cc1
InChIInChI=1S/C23H31N3O/c1-18-9-11-21(12-10-18)22(24)23(27)25-16-19-7-6-8-20(15-19)17-26-13-4-2-3-5-14-26/h6-12,15,22H,2-5,13-14,16-17,24H2,1H3,(H,25,27)
InChIKeyFKEXNBNNNNAALQ-UHFFFAOYSA-N
XLogP3.69
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-4-methylpentanamide
CID 119867379
3-amino-2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 120502898
2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 119867241
1-[(4-methylphenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917625
1-[[3-(azepan-1-ylmethyl)phenyl]methyl]-3-(4-methylphenyl)urea
CID 52797114
2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 106151650
2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
CID 119835745
2-amino-2-(4-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 120667367
2-amino-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 106151129
2-amino-2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 119847245
2-cyclopentyl-2-phenyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 91794763
2-amino-2-(4-methylphenyl)-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 120667859

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide (CID 120669979) is 2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NCc2cccc(CN3CCCCCC3)c2)cc1.
What is the InChIKey of 2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is FKEXNBNNNNAALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-18-9-11-21(12-10-18)22(24)23(27)25-16-19-7-6-8-20(15-19)17-26-13-4-2-3-5-14-26/h6-12,15,22H,2-5,13-14,16-17,24H2,1H3,(H,25,27).
What are the key properties of 2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide?
2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 365.52 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 120669979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).