N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxoazepan-1-yl)propanamide

C19H27ClN2O3 — CID 131924595

IUPACN-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxoazepan-1-yl)propanamide
SMILESCOCCN(Cc1ccccc1Cl)C(=O)CCN1CCCCCC1=O
InChIInChI=1S/C19H27ClN2O3/c1-25-14-13-22(15-16-7-4-5-8-17(16)20)19(24)10-12-21-11-6-2-3-9-18(21)23/h4-5,7-8H,2-3,6,9-15H2,1H3
InChIKeyNNQBVECDJYHPOA-UHFFFAOYSA-N
MW366.89 g/mol
LogP3.11
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxoazepan-1-yl)propanamide

N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 131924595) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxoazepan-1-yl)propanamide
PubChem CID131924595
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC NameN-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxoazepan-1-yl)propanamide
SMILESCOCCN(Cc1ccccc1Cl)C(=O)CCN1CCCCCC1=O
InChIInChI=1S/C19H27ClN2O3/c1-25-14-13-22(15-16-7-4-5-8-17(16)20)19(24)10-12-21-11-6-2-3-9-18(21)23/h4-5,7-8H,2-3,6,9-15H2,1H3
InChIKeyNNQBVECDJYHPOA-UHFFFAOYSA-N
XLogP3.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-3-(azepan-1-ylmethyl)-5-(2-chlorophenyl)-1-methylpyrrolidin-2-one
CID 44565108
Cambridge id 5264213
CID 2838260
1-[(2-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide
CID 45264296
1-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)azepane-4-carboxamide
CID 46948656
1-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)azepane-4-carboxamide
CID 49789542
N-(3-chlorobenzyl)-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide
CID 50954900
N-(2-chlorobenzyl)-2-hydroxy-N-(2-methoxyethyl)-4,6-dimethylnicotinamide
CID 70736567
9-(2-Chloro-5-fluorobenzyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70748769
1-[(5aR,8aS)-7-[(2-chlorophenyl)methyl]-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-4-yl]ethanone
CID 97420289
1-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)azepane-4-carboxamide
CID 49791056
4-(3-Chlorobenzyl)-9-(2-methoxyethyl)-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70756978
3-[4-(2-Chlorobenzoyl)-1,4-diazepan-1-yl]-1-(2-methoxyethyl)-2-pyrrolidinone
CID 71687207

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxoazepan-1-yl)propanamide (CID 131924595) is N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxoazepan-1-yl)propanamide is COCCN(Cc1ccccc1Cl)C(=O)CCN1CCCCCC1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is NNQBVECDJYHPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-25-14-13-22(15-16-7-4-5-8-17(16)20)19(24)10-12-21-11-6-2-3-9-18(21)23/h4-5,7-8H,2-3,6,9-15H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxoazepan-1-yl)propanamide?
N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 366.89 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 131924595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).