methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate

C13H19N3O3 — CID 81490095

IUPACmethyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)C(C)(C)CN)cc1
InChIInChI=1S/C13H19N3O3/c1-13(2,8-14)11(17)15-9-4-6-10(7-5-9)16-12(18)19-3/h4-7H,8,14H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyDUGNSTSCQFZVHU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.79
Rot. Bonds4

About methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate

methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate (PubChem CID 81490095) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
PubChem CID81490095
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)C(C)(C)CN)cc1
InChIInChI=1S/C13H19N3O3/c1-13(2,8-14)11(17)15-9-4-6-10(7-5-9)16-12(18)19-3/h4-7H,8,14H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyDUGNSTSCQFZVHU-UHFFFAOYSA-N
XLogP1.79
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119670707
3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide
CID 113307498
methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
CID 60848240
3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119705445
3-amino-2,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115154519
3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119724763
3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide
CID 107701407
2-[[4-[(3-amino-2,2-dimethylpropanoyl)amino]benzoyl]amino]acetic acid
CID 115426496
3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 81470210
3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide
CID 115426342
5-[(3-amino-2,2-dimethylpropanoyl)amino]benzene-1,3-dicarboxylic acid
CID 115426556
3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
CID 81489227

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate (CID 81490095) is methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate is COC(=O)Nc1ccc(NC(=O)C(C)(C)CN)cc1.
What is the InChIKey of methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate?
The InChIKey is DUGNSTSCQFZVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,8-14)11(17)15-9-4-6-10(7-5-9)16-12(18)19-3/h4-7H,8,14H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate?
methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate has a molecular weight of 265.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate is sourced from PubChem (CID 81490095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).