2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide

C14H21N3O2 — CID 114332159

IUPAC2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
SMILESO=C(CN1CCCNCC1)NCc1ccc(O)cc1
InChIInChI=1S/C14H21N3O2/c18-13-4-2-12(3-5-13)10-16-14(19)11-17-8-1-6-15-7-9-17/h2-5,15,18H,1,6-11H2,(H,16,19)
InChIKeyIDFJKZUQCXGIDW-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.30
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide

2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide (PubChem CID 114332159) 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-[(4-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
PubChem CID114332159
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
SMILESO=C(CN1CCCNCC1)NCc1ccc(O)cc1
InChIInChI=1S/C14H21N3O2/c18-13-4-2-12(3-5-13)10-16-14(19)11-17-8-1-6-15-7-9-17/h2-5,15,18H,1,6-11H2,(H,16,19)
InChIKeyIDFJKZUQCXGIDW-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62839241
N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide
CID 62837229
2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 62838248
2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 62880126
3-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]benzamide
CID 62839603
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 43162513
2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171334
N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
CID 60850914
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-5-hydroxybenzoic acid
CID 62839797
2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64530362
2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 55123139

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide (CID 114332159) is 2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide is O=C(CN1CCCNCC1)NCc1ccc(O)cc1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide?
The InChIKey is IDFJKZUQCXGIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13-4-2-12(3-5-13)10-16-14(19)11-17-8-1-6-15-7-9-17/h2-5,15,18H,1,6-11H2,(H,16,19).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide?
2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.30, 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-[(4-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 114332159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).