3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide

C15H23N3O3 — CID 87007745

IUPAC3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide
SMILESCOc1ccc(CN(C)C(=O)NCCC(=O)N(C)C)cc1
InChIInChI=1S/C15H23N3O3/c1-17(2)14(19)9-10-16-15(20)18(3)11-12-5-7-13(21-4)8-6-12/h5-8H,9-11H2,1-4H3,(H,16,20)
InChIKeyNKZSVPGPVXWDRP-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.31
Rot. Bonds6

About 3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide

3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide (PubChem CID 87007745) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide
PubChem CID87007745
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide
SMILESCOc1ccc(CN(C)C(=O)NCCC(=O)N(C)C)cc1
InChIInChI=1S/C15H23N3O3/c1-17(2)14(19)9-10-16-15(20)18(3)11-12-5-7-13(21-4)8-6-12/h5-8H,9-11H2,1-4H3,(H,16,20)
InChIKeyNKZSVPGPVXWDRP-UHFFFAOYSA-N
XLogP1.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-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

1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 35628426
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 56540431
3-chloro-N-[(4-methoxyphenyl)methyl-methylcarbamoyl]propanamide
CID 61418008
3-[[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]amino]propanoic acid
CID 122019413
3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea
CID 46596303
N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 55795743
N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide
CID 109020403
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 61417680
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86912648
1-benzyl-3-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-1-methylurea
CID 56516624
3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea
CID 46594171

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide (CID 87007745) is 3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide is COc1ccc(CN(C)C(=O)NCCC(=O)N(C)C)cc1.
What is the InChIKey of 3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide?
The InChIKey is NKZSVPGPVXWDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-17(2)14(19)9-10-16-15(20)18(3)11-12-5-7-13(21-4)8-6-12/h5-8H,9-11H2,1-4H3,(H,16,20).
What are the key properties of 3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide?
3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide has a molecular weight of 293.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 87007745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).