3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide

C16H25N3O3 — CID 87000051

IUPAC3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide
SMILESCCC(NC(=O)NCC(C)(C)C(N)=O)c1ccc(OC)cc1
InChIInChI=1S/C16H25N3O3/c1-5-13(11-6-8-12(22-4)9-7-11)19-15(21)18-10-16(2,3)14(17)20/h6-9,13H,5,10H2,1-4H3,(H2,17,20)(H2,18,19,21)
InChIKeyDMZJYTUQSPUOGW-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.96
Rot. Bonds7

About 3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide

3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide (PubChem CID 87000051) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide
PubChem CID87000051
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide
SMILESCCC(NC(=O)NCC(C)(C)C(N)=O)c1ccc(OC)cc1
InChIInChI=1S/C16H25N3O3/c1-5-13(11-6-8-12(22-4)9-7-11)19-15(21)18-10-16(2,3)14(17)20/h6-9,13H,5,10H2,1-4H3,(H2,17,20)(H2,18,19,21)
InChIKeyDMZJYTUQSPUOGW-UHFFFAOYSA-N
XLogP1.96
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 111335702
1-[1-(4-methoxyphenyl)propyl]-3-propylurea
CID 133230838
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 111504080
2-amino-N-[1-(4-methoxyphenyl)propyl]-2-methylpropanamide
CID 61266584
1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 111337836
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 62733543
1-[(2-methoxyphenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042538
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042604
1-[(1S)-1-(4-methoxyphenyl)propyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024674
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 111454052

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide (CID 87000051) is 3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide is CCC(NC(=O)NCC(C)(C)C(N)=O)c1ccc(OC)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide?
The InChIKey is DMZJYTUQSPUOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-5-13(11-6-8-12(22-4)9-7-11)19-15(21)18-10-16(2,3)14(17)20/h6-9,13H,5,10H2,1-4H3,(H2,17,20)(H2,18,19,21).
What are the key properties of 3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide?
3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide has a molecular weight of 307.39 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)propylcarbamoylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 87000051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).