2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide

C12H18N4O3 — CID 119321312

IUPAC2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)N)ccc1NC(N)=O
InChIInChI=1S/C12H18N4O3/c1-12(2,14)10(17)15-7-4-5-8(16-11(13)18)9(6-7)19-3/h4-6H,14H2,1-3H3,(H,15,17)(H3,13,16,18)
InChIKeyVEOZLZMAYHEATD-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.86
Rot. Bonds4

About 2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide

2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide (PubChem CID 119321312) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide
PubChem CID119321312
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)N)ccc1NC(N)=O
InChIInChI=1S/C12H18N4O3/c1-12(2,14)10(17)15-7-4-5-8(16-11(13)18)9(6-7)19-3/h4-6H,14H2,1-3H3,(H,15,17)(H3,13,16,18)
InChIKeyVEOZLZMAYHEATD-UHFFFAOYSA-N
XLogP0.86
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119282644
2-amino-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839711
N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide
CID 79797274
2-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-2-methylpropanamide
CID 119286134
(3,4-dimethoxyphenyl)urea
CID 21197430
N-(3,4-dimethoxyphenyl)-N'-(2-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969309
2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119331466
N-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide
CID 119779724
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
N-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide
CID 1248582
3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119779701
N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide
CID 30309174

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide (CID 119321312) is 2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide is COc1cc(NC(=O)C(C)(C)N)ccc1NC(N)=O.
What is the InChIKey of 2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide?
The InChIKey is VEOZLZMAYHEATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(2,14)10(17)15-7-4-5-8(16-11(13)18)9(6-7)19-3/h4-6H,14H2,1-3H3,(H,15,17)(H3,13,16,18).
What are the key properties of 2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide?
2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide has a molecular weight of 266.30 g/mol, XLogP of 0.86, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide is sourced from PubChem (CID 119321312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).