2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide

C16H25N3O2 — CID 107734552

IUPAC2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide
SMILESCCN(C(=O)CN1CCCNCC1)c1cc(O)ccc1C
InChIInChI=1S/C16H25N3O2/c1-3-19(15-11-14(20)6-5-13(15)2)16(21)12-18-9-4-7-17-8-10-18/h5-6,11,17,20H,3-4,7-10,12H2,1-2H3
InChIKeyOVMCDKMKJHHLRO-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.35
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide

2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide (PubChem CID 107734552) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide
PubChem CID107734552
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide
SMILESCCN(C(=O)CN1CCCNCC1)c1cc(O)ccc1C
InChIInChI=1S/C16H25N3O2/c1-3-19(15-11-14(20)6-5-13(15)2)16(21)12-18-9-4-7-17-8-10-18/h5-6,11,17,20H,3-4,7-10,12H2,1-2H3
InChIKeyOVMCDKMKJHHLRO-UHFFFAOYSA-N
XLogP1.35
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide
CID 62833998
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide
CID 107734491
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 115377407
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide
CID 63564415
2-(1,4-diazepan-1-yl)-N-ethyl-N-propan-2-ylacetamide
CID 62838070
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 43348717
2-(1,4-diazepan-1-yl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 62837368
2-(1,4-diazepan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 62036993
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-5-hydroxybenzoic acid
CID 62839797
2-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]benzoic acid
CID 62839047
4-(1,4-diazepan-1-ylmethyl)benzene-1,3-diol
CID 61057832

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide (CID 107734552) is 2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide is CCN(C(=O)CN1CCCNCC1)c1cc(O)ccc1C.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide?
The InChIKey is OVMCDKMKJHHLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-19(15-11-14(20)6-5-13(15)2)16(21)12-18-9-4-7-17-8-10-18/h5-6,11,17,20H,3-4,7-10,12H2,1-2H3.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide?
2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide is sourced from PubChem (CID 107734552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).