2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

C15H23N3O2 — CID 107862973

IUPAC2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
SMILESO=C(CN1CCCNCC1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C15H23N3O2/c19-12-14(13-5-2-1-3-6-13)17-15(20)11-18-9-4-7-16-8-10-18/h1-3,5-6,14,16,19H,4,7-12H2,(H,17,20)/t14-/m1/s1
InChIKeyWAUDSAWKZVNFJR-CQSZACIVSA-N
MW277.37 g/mol
LogP0.13
Rot. Bonds5

About 2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide

2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (PubChem CID 107862973) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
PubChem CID107862973
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
SMILESO=C(CN1CCCNCC1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C15H23N3O2/c19-12-14(13-5-2-1-3-6-13)17-15(20)11-18-9-4-7-16-8-10-18/h1-3,5-6,14,16,19H,4,7-12H2,(H,17,20)/t14-/m1/s1
InChIKeyWAUDSAWKZVNFJR-CQSZACIVSA-N
XLogP0.13
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,4-diazepan-1-yl)-N-(1-phenylbutyl)acetamide
CID 62838472
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 100678867
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
N-[(1R)-2-hydroxy-1-phenylethyl]-3-pyrrolidin-1-ylpropanamide
CID 103944653
2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide
CID 62832743
2-(1,4-diazepan-1-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 81356922
2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 81404554
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide
CID 119906440
2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43348732
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838706
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride
CID 119906439

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide (CID 107862973) is 2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide is O=C(CN1CCCNCC1)N[C@H](CO)c1ccccc1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
The InChIKey is WAUDSAWKZVNFJR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-12-14(13-5-2-1-3-6-13)17-15(20)11-18-9-4-7-16-8-10-18/h1-3,5-6,14,16,19H,4,7-12H2,(H,17,20)/t14-/m1/s1.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide?
2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide is sourced from PubChem (CID 107862973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).