2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-methyl-N-phenylacetamide

C15H21N3O2 — CID 155290574

IUPAC2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCCC[C@H](N)C1=O)c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-17(12-7-3-2-4-8-12)14(19)11-18-10-6-5-9-13(16)15(18)20/h2-4,7-8,13H,5-6,9-11,16H2,1H3/t13-/m0/s1
InChIKeyIEXFUWOZPNBKQT-ZDUSSCGKSA-N
MW275.35 g/mol
LogP0.99
Rot. Bonds3

About 2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-methyl-N-phenylacetamide

2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 155290574) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-methyl-N-phenylacetamide
PubChem CID155290574
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCCC[C@H](N)C1=O)c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-17(12-7-3-2-4-8-12)14(19)11-18-10-6-5-9-13(16)15(18)20/h2-4,7-8,13H,5-6,9-11,16H2,1H3/t13-/m0/s1
InChIKeyIEXFUWOZPNBKQT-ZDUSSCGKSA-N
XLogP0.99
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-2-oxoazonan-1-yl)acetic acid
CID 23322748
[2-[(3S)-3-amino-2-oxoazepan-1-yl]acetyl] benzoate
CID 155061107
1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441165
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide;hydrochloride
CID 119916209
2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60684693
3-amino-1-(2-oxopropyl)piperidin-2-one
CID 71595862
(3S)-3-amino-1-[2-(furan-3-yl)-2-oxoethyl]azepan-2-one
CID 59033764
3-amino-1-[2-(dimethylamino)-2-hydroxyethyl]azepan-2-one
CID 22945909
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 78942501
methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate
CID 10583700
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-methyl-N-phenylacetamide
CID 7952272
2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 106745081

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-methyl-N-phenylacetamide (CID 155290574) is 2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-methyl-N-phenylacetamide is CN(C(=O)CN1CCCC[C@H](N)C1=O)c1ccccc1.
What is the InChIKey of 2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is IEXFUWOZPNBKQT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17(12-7-3-2-4-8-12)14(19)11-18-10-6-5-9-13(16)15(18)20/h2-4,7-8,13H,5-6,9-11,16H2,1H3/t13-/m0/s1.
What are the key properties of 2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-methyl-N-phenylacetamide?
2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 275.35 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-amino-2-oxoazepan-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 155290574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).