2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide

C22H29N3O — CID 119867241

IUPAC2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide
SMILESNC(C(=O)NCc1ccc(CN2CCCCCC2)cc1)c1ccccc1
InChIInChI=1S/C22H29N3O/c23-21(20-8-4-3-5-9-20)22(26)24-16-18-10-12-19(13-11-18)17-25-14-6-1-2-7-15-25/h3-5,8-13,21H,1-2,6-7,14-17,23H2,(H,24,26)
InChIKeyJEDSZCFXFVSHME-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.38
Rot. Bonds6

About 2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide

2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide (PubChem CID 119867241) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide
PubChem CID119867241
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide
SMILESNC(C(=O)NCc1ccc(CN2CCCCCC2)cc1)c1ccccc1
InChIInChI=1S/C22H29N3O/c23-21(20-8-4-3-5-9-20)22(26)24-16-18-10-12-19(13-11-18)17-25-14-6-1-2-7-15-25/h3-5,8-13,21H,1-2,6-7,14-17,23H2,(H,24,26)
InChIKeyJEDSZCFXFVSHME-UHFFFAOYSA-N
XLogP3.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
CID 119835745
2-amino-2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 119272019
2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 120669979
(2S)-2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119867271
(2S)-2-amino-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119836236
(2R)-2-amino-N-[(4-hydroxyphenyl)methyl]-2-phenylacetamide
CID 96927089
2-amino-2-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 119399543
(2S)-2-phenoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31592208
2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
CID 119841340
3-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide
CID 119867293
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
(2R)-2-(N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015338

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide (CID 119867241) is 2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide is NC(C(=O)NCc1ccc(CN2CCCCCC2)cc1)c1ccccc1.
What is the InChIKey of 2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide?
The InChIKey is JEDSZCFXFVSHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c23-21(20-8-4-3-5-9-20)22(26)24-16-18-10-12-19(13-11-18)17-25-14-6-1-2-7-15-25/h3-5,8-13,21H,1-2,6-7,14-17,23H2,(H,24,26).
What are the key properties of 2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide?
2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide has a molecular weight of 351.49 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 119867241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).