N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide

C18H27ClN2O3 — CID 33164457

IUPACN-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C18H27ClN2O3/c1-18(2,3)17(23)20-10-6-7-16(22)21(4)12-13-11-14(19)8-9-15(13)24-5/h8-9,11H,6-7,10,12H2,1-5H3,(H,20,23)
InChIKeyKQMOLCJPBRPYSE-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.25
Rot. Bonds7

About N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 33164457) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID33164457
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC NameN-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C18H27ClN2O3/c1-18(2,3)17(23)20-10-6-7-16(22)21(4)12-13-11-14(19)8-9-15(13)24-5/h8-9,11H,6-7,10,12H2,1-5H3,(H,20,23)
InChIKeyKQMOLCJPBRPYSE-UHFFFAOYSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 32761132
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 55772482
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide
CID 55772389
1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3-ethoxypropyl)-1-methylurea
CID 119064750
N-[3-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylbenzamide
CID 9183634
5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108540892
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 9182964
tert-butyl N-[4-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-4-oxobutyl]carbamate
CID 9277255
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(4-chlorophenyl)-N,2-dimethylpropanamide
CID 55870773
N-[4-[(4-ethoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134037247
3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 41437401
3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 55772529

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 33164457) is N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide is COc1ccc(Cl)cc1CN(C)C(=O)CCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is KQMOLCJPBRPYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3/c1-18(2,3)17(23)20-10-6-7-16(22)21(4)12-13-11-14(19)8-9-15(13)24-5/h8-9,11H,6-7,10,12H2,1-5H3,(H,20,23).
What are the key properties of N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 354.88 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 33164457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).