2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide

C16H26N4O — CID 115377407

IUPAC2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CN2CCCNCC2)cc1N(C)C
InChIInChI=1S/C16H26N4O/c1-13-5-6-14(11-15(13)19(2)3)18-16(21)12-20-9-4-7-17-8-10-20/h5-6,11,17H,4,7-10,12H2,1-3H3,(H,18,21)
InChIKeyCDYDTCDSIGMWNP-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.29
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide

2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide (PubChem CID 115377407) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
PubChem CID115377407
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CN2CCCNCC2)cc1N(C)C
InChIInChI=1S/C16H26N4O/c1-13-5-6-14(11-15(13)19(2)3)18-16(21)12-20-9-4-7-17-8-10-20/h5-6,11,17H,4,7-10,12H2,1-3H3,(H,18,21)
InChIKeyCDYDTCDSIGMWNP-UHFFFAOYSA-N
XLogP1.29
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 62833287
N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132965081
N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
CID 45032288
N-[3-(dimethylamino)phenyl]-2-piperazin-1-ylacetamide
CID 115377065
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide
CID 54773502
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838877
N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide
CID 62838478
N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-hydroxybenzoic acid
CID 62838704
N-[3-(dimethylamino)-4-methylphenyl]-2-oxo-2-piperazin-1-ylacetamide
CID 115378763
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide;hydrochloride
CID 119906632
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide
CID 119906440

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide (CID 115377407) is 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide is Cc1ccc(NC(=O)CN2CCCNCC2)cc1N(C)C.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide?
The InChIKey is CDYDTCDSIGMWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-5-6-14(11-15(13)19(2)3)18-16(21)12-20-9-4-7-17-8-10-20/h5-6,11,17H,4,7-10,12H2,1-3H3,(H,18,21).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide?
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.29, 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-[3-(dimethylamino)-4-methylphenyl]acetamide is sourced from PubChem (CID 115377407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).