N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-2-methyl-3-phenylpropanamide

C23H28ClNO2 — CID 91382156

IUPACN-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-2-methyl-3-phenylpropanamide
SMILESCOCCc1ccc(Cl)c(CN(C(=O)C(C)Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C23H28ClNO2/c1-17(14-18-6-4-3-5-7-18)23(26)25(21-9-10-21)16-20-15-19(12-13-27-2)8-11-22(20)24/h3-8,11,15,17,21H,9-10,12-14,16H2,1-2H3
InChIKeySKDLZLYVLYRJDF-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.90
Rot. Bonds9

About N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-2-methyl-3-phenylpropanamide

N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-2-methyl-3-phenylpropanamide (PubChem CID 91382156) has the molecular formula C23H28ClNO2 and a molecular weight of 385.94 g/mol. Its IUPAC name is N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-2-methyl-3-phenylpropanamide
PubChem CID91382156
Molecular FormulaC23H28ClNO2
Molecular Weight385.94 g/mol
Exact Mass385.18
IUPAC NameN-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-2-methyl-3-phenylpropanamide
SMILESCOCCc1ccc(Cl)c(CN(C(=O)C(C)Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C23H28ClNO2/c1-17(14-18-6-4-3-5-7-18)23(26)25(21-9-10-21)16-20-15-19(12-13-27-2)8-11-22(20)24/h3-8,11,15,17,21H,9-10,12-14,16H2,1-2H3
InChIKeySKDLZLYVLYRJDF-UHFFFAOYSA-N
XLogP4.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl-cyclopropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid
CID 66896146
2-(aminomethyl)-N-[[2-chloro-5-(3-methoxypropyl)phenyl]methyl]-N-cyclopropyl-3-(1H-inden-4-yl)propanamide
CID 58409165
N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide
CID 55110663
(3S,4R)-3-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl-cyclopropylcarbamoyl]-4-hydroxy-4-(2-phenylmethoxy-4-pyridinyl)piperidine-1-carboxylic acid
CID 67062072
(2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide
CID 66568232
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 66568347
tert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate
CID 67148615
(3S,4R)-3-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl-cyclopropylcarbamoyl]-4-hydroxy-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carboxylic acid
CID 67062234
N-[[2-chloro-5-(3-methoxypropyl)phenyl]methyl]-N-cyclopropyl-1,2-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
CID 159647260
(2R)-2-(aminomethyl)-N-[[2-chloro-5-(3-methoxypropyl)phenyl]methyl]-N-cyclopropyl-3-[6-[(3R)-3-(2,6-dichloro-4-methylphenoxy)pyrrolidin-1-yl]-3-pyridinyl]propanamide
CID 24746473
N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-7-[4-[2-(2,6-dichloro-4-methylphenoxy)ethyl]phenyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
CID 67479306
3-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 62669636

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-2-methyl-3-phenylpropanamide?
The IUPAC name of N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-2-methyl-3-phenylpropanamide (CID 91382156) is N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-2-methyl-3-phenylpropanamide.
What is the SMILES notation for N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-2-methyl-3-phenylpropanamide?
The canonical SMILES for N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-2-methyl-3-phenylpropanamide is COCCc1ccc(Cl)c(CN(C(=O)C(C)Cc2ccccc2)C2CC2)c1.
What is the InChIKey of N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-2-methyl-3-phenylpropanamide?
The InChIKey is SKDLZLYVLYRJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO2/c1-17(14-18-6-4-3-5-7-18)23(26)25(21-9-10-21)16-20-15-19(12-13-27-2)8-11-22(20)24/h3-8,11,15,17,21H,9-10,12-14,16H2,1-2H3.
What are the key properties of N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-2-methyl-3-phenylpropanamide?
N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-2-methyl-3-phenylpropanamide has a molecular weight of 385.94 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 91382156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).