2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide

C14H21N3O2 — CID 62838993

IUPAC2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
SMILESO=C(CN1CCCNCC1)Nc1cccc(CO)c1
InChIInChI=1S/C14H21N3O2/c18-11-12-3-1-4-13(9-12)16-14(19)10-17-7-2-5-15-6-8-17/h1,3-4,9,15,18H,2,5-8,10-11H2,(H,16,19)
InChIKeyDQMCAPIDKJBRGW-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.41
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide

2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide (PubChem CID 62838993) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
PubChem CID62838993
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
SMILESO=C(CN1CCCNCC1)Nc1cccc(CO)c1
InChIInChI=1S/C14H21N3O2/c18-11-12-3-1-4-13(9-12)16-14(19)10-17-7-2-5-15-6-8-17/h1,3-4,9,15,18H,2,5-8,10-11H2,(H,16,19)
InChIKeyDQMCAPIDKJBRGW-UHFFFAOYSA-N
XLogP0.41
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]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

3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 62839609
2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid
CID 65350381
2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43348732
2-(1,4-diazepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 62837178
2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide
CID 62838844
N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 119906484
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide
CID 119906440
N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 16779298
N-[3-(dimethylamino)phenyl]-2-piperazin-1-ylacetamide
CID 115377065
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride
CID 119906439
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-hydroxybenzoic acid
CID 62838704
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide
CID 54773502

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide (CID 62838993) is 2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide is O=C(CN1CCCNCC1)Nc1cccc(CO)c1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide?
The InChIKey is DQMCAPIDKJBRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-11-12-3-1-4-13(9-12)16-14(19)10-17-7-2-5-15-6-8-17/h1,3-4,9,15,18H,2,5-8,10-11H2,(H,16,19).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide?
2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.41, 4 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-[3-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 62838993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).