2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide

C19H28ClN3O2 — CID 87013297

IUPAC2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
SMILESCN(CC(=O)NCCCN1CCCCCC1=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H28ClN3O2/c1-22(14-16-7-9-17(20)10-8-16)15-18(24)21-11-5-13-23-12-4-2-3-6-19(23)25/h7-10H,2-6,11-15H2,1H3,(H,21,24)
InChIKeyDFOQQFGKCSRRBQ-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.68
Rot. Bonds8

About 2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide

2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide (PubChem CID 87013297) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
PubChem CID87013297
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
SMILESCN(CC(=O)NCCCN1CCCCCC1=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H28ClN3O2/c1-22(14-16-7-9-17(20)10-8-16)15-18(24)21-11-5-13-23-12-4-2-3-6-19(23)25/h7-10H,2-6,11-15H2,1H3,(H,21,24)
InChIKeyDFOQQFGKCSRRBQ-UHFFFAOYSA-N
XLogP2.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 87012759
2-(4-chlorophenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78779568
2-[(3-chlorophenyl)methyl-ethylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 87014305
2-[(3-cyanophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86931104
2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977003
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
N'-[(4-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 18588547
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86911651
2-(4-fluoro-N-methylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 87014857
2-[methyl-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]amino]propanoic acid;hydrochloride
CID 119913641
4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 18161251
2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 87014913

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide (CID 87013297) is 2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide is CN(CC(=O)NCCCN1CCCCCC1=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
The InChIKey is DFOQQFGKCSRRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-22(14-16-7-9-17(20)10-8-16)15-18(24)21-11-5-13-23-12-4-2-3-6-19(23)25/h7-10H,2-6,11-15H2,1H3,(H,21,24).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide?
2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide has a molecular weight of 365.91 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide is sourced from PubChem (CID 87013297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).