3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide

C13H17ClN2O3 — CID 61418008

IUPAC3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide
SMILESCOc1ccc(CN(C)C(=O)NC(=O)CCCl)cc1
InChIInChI=1S/C13H17ClN2O3/c1-16(13(18)15-12(17)7-8-14)9-10-3-5-11(19-2)6-4-10/h3-6H,7-9H2,1-2H3,(H,15,17,18)
InChIKeyVOZOMCOTOVWWKF-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.99
Rot. Bonds5

About 3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide

3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide (PubChem CID 61418008) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide
PubChem CID61418008
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide
SMILESCOc1ccc(CN(C)C(=O)NC(=O)CCCl)cc1
InChIInChI=1S/C13H17ClN2O3/c1-16(13(18)15-12(17)7-8-14)9-10-3-5-11(19-2)6-4-10/h3-6H,7-9H2,1-2H3,(H,15,17,18)
InChIKeyVOZOMCOTOVWWKF-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide
CID 87007745
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 61417680
3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86988400
3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 61418141
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79791741
(2R)-2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 107566389
N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 55795743
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
3-[3-(2,2-dimethylpropyl)cyclobutyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 164979958
N-[[4-(dimethylamino)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]carbamoyl chloride
CID 164739560
4-[(4-methoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991651

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide (CID 61418008) is 3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide is COc1ccc(CN(C)C(=O)NC(=O)CCCl)cc1.
What is the InChIKey of 3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide?
The InChIKey is VOZOMCOTOVWWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-16(13(18)15-12(17)7-8-14)9-10-3-5-11(19-2)6-4-10/h3-6H,7-9H2,1-2H3,(H,15,17,18).
What are the key properties of 3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide?
3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide has a molecular weight of 284.74 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide is sourced from PubChem (CID 61418008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).