methyl N-[3-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]carbamate

C14H19N3O3 — CID 60927224

IUPACmethyl N-[3-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)C(C)(N)C2CC2)c1
InChIInChI=1S/C14H19N3O3/c1-14(15,9-6-7-9)12(18)16-10-4-3-5-11(8-10)17-13(19)20-2/h3-5,8-9H,6-7,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXPVDYUGADGWUOQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.93
Rot. Bonds4

About methyl N-[3-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]carbamate

methyl N-[3-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]carbamate (PubChem CID 60927224) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl N-[3-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]carbamate
PubChem CID60927224
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl N-[3-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)C(C)(N)C2CC2)c1
InChIInChI=1S/C14H19N3O3/c1-14(15,9-6-7-9)12(18)16-10-4-3-5-11(8-10)17-13(19)20-2/h3-5,8-9H,6-7,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXPVDYUGADGWUOQ-UHFFFAOYSA-N
XLogP1.93
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-N-(4-methoxyphenyl)propanamide
CID 54925277
N-(4-acetamidophenyl)-2-amino-2-cyclopropylpropanamide
CID 60866095
2-amino-2-cyclopropyl-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107701447
2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide
CID 55118792
2-amino-2-cyclopropyl-N-(3-imidazol-1-ylphenyl)propanamide
CID 60868425
N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 61252070
2-amino-2-cyclopropyl-N-[3-(dimethylamino)-4-methylphenyl]propanamide
CID 115377371
methyl N-[3-(dicyclopropylmethylamino)phenyl]carbamate
CID 54864283
2-amino-2-cyclopropyl-N-(4-propan-2-ylphenyl)propanamide
CID 60866090
ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
CID 60723628
2-amino-2-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 61237343
2-amino-2-cyclopropyl-N-[2-(methoxymethyl)phenyl]propanamide
CID 54924986

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]carbamate (CID 60927224) is methyl N-[3-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]carbamate is COC(=O)Nc1cccc(NC(=O)C(C)(N)C2CC2)c1.
What is the InChIKey of methyl N-[3-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]carbamate?
The InChIKey is XPVDYUGADGWUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(15,9-6-7-9)12(18)16-10-4-3-5-11(8-10)17-13(19)20-2/h3-5,8-9H,6-7,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of methyl N-[3-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]carbamate?
methyl N-[3-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]carbamate has a molecular weight of 277.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]carbamate is sourced from PubChem (CID 60927224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).