methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate

C14H21N3O3 — CID 60848240

IUPACmethyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
SMILESCCCC(C)(N)C(=O)Nc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C14H21N3O3/c1-4-9-14(2,15)12(18)16-10-5-7-11(8-6-10)17-13(19)20-3/h5-8H,4,9,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyJRXKMJJBYBOUAO-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.32
Rot. Bonds5

About methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate

methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate (PubChem CID 60848240) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
PubChem CID60848240
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
SMILESCCCC(C)(N)C(=O)Nc1ccc(NC(=O)OC)cc1
InChIInChI=1S/C14H21N3O3/c1-4-9-14(2,15)12(18)16-10-5-7-11(8-6-10)17-13(19)20-3/h5-8H,4,9,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyJRXKMJJBYBOUAO-UHFFFAOYSA-N
XLogP2.32
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylpentanamide
CID 60848779
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660
2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
CID 119735835
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
2-amino-N-(4-butylphenyl)-2-methylpentanamide
CID 54928789
methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
CID 81490095
4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride
CID 119739022
2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpentanamide
CID 60928090
2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
CID 106911813
2-amino-2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 119685767
2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride
CID 119792370
2-amino-2-methyl-N-phenylhexanamide
CID 170712188

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate (CID 60848240) is methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate is CCCC(C)(N)C(=O)Nc1ccc(NC(=O)OC)cc1.
What is the InChIKey of methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate?
The InChIKey is JRXKMJJBYBOUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-9-14(2,15)12(18)16-10-5-7-11(8-6-10)17-13(19)20-3/h5-8H,4,9,15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate?
methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate is sourced from PubChem (CID 60848240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).