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

C15H21N3O4 — CID 170966798

IUPAC[4-[(2-formamidoacetyl)amino]phenyl]methyl N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)OCc1ccc(NC(=O)CNC=O)cc1
InChIInChI=1S/C15H21N3O4/c1-11(2)7-17-15(21)22-9-12-3-5-13(6-4-12)18-14(20)8-16-10-19/h3-6,10-11H,7-9H2,1-2H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyPGIRMWAVNMIGRG-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.25
Rot. Bonds8

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

[4-[(2-formamidoacetyl)amino]phenyl]methyl N-(2-methylpropyl)carbamate (PubChem CID 170966798) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is [4-[(2-formamidoacetyl)amino]phenyl]methyl N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Name[4-[(2-formamidoacetyl)amino]phenyl]methyl N-(2-methylpropyl)carbamate
PubChem CID170966798
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name[4-[(2-formamidoacetyl)amino]phenyl]methyl N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)OCc1ccc(NC(=O)CNC=O)cc1
InChIInChI=1S/C15H21N3O4/c1-11(2)7-17-15(21)22-9-12-3-5-13(6-4-12)18-14(20)8-16-10-19/h3-6,10-11H,7-9H2,1-2H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyPGIRMWAVNMIGRG-UHFFFAOYSA-N
XLogP1.25
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-ethylethanamine;[4-[(2-formamidoacetyl)amino]phenyl]methyl 2-methylpropanoate;2-formamido-N-(1-phenylpropan-2-yl)acetamide
CID 171804766
2-formamido-N-[4-(methylamino)phenyl]acetamide
CID 178056431
benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184
[4-[(2-formamidoacetyl)amino]phenyl]methyl hydrogen carbonate;3-hydroxy-2,2-dimethyl-N-(3-methylbutan-2-yl)propanamide;3-methylbutan-1-amine
CID 163384584
(4-nitrophenyl)methyl N-(2-methylpropyl)carbamate
CID 22367016
2-formamido-N-[4-(hydroxymethyl)phenyl]acetamide;3-methylbutan-2-amine;propylurea
CID 142601689
ethane;[4-[(2-formamidoacetyl)amino]phenyl]methyl (4-nitrosophenyl) carbonate;N-(3-methylbutan-2-yl)acetamide
CID 142322353
chloromethyl 4-[[2-(phenylmethoxycarbonylamino)acetyl]amino]benzoate
CID 70183843
ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate
CID 142474647
[4-(propanoylamino)phenyl]methyl N-[4-(2-hydroxy-3-iodopropoxy)-2,3-dimethylbutyl]carbamate
CID 166729892
(2,5-dioxopyrrolidin-1-yl) [4-[(2-formamidoacetyl)amino]phenyl]methyl carbonate;2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 165397687
ethyl 4-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 113000796

Frequently Asked Questions

What is the IUPAC name of [4-[(2-formamidoacetyl)amino]phenyl]methyl N-(2-methylpropyl)carbamate?
The IUPAC name of [4-[(2-formamidoacetyl)amino]phenyl]methyl N-(2-methylpropyl)carbamate (CID 170966798) is [4-[(2-formamidoacetyl)amino]phenyl]methyl N-(2-methylpropyl)carbamate.
What is the SMILES notation for [4-[(2-formamidoacetyl)amino]phenyl]methyl N-(2-methylpropyl)carbamate?
The canonical SMILES for [4-[(2-formamidoacetyl)amino]phenyl]methyl N-(2-methylpropyl)carbamate is CC(C)CNC(=O)OCc1ccc(NC(=O)CNC=O)cc1.
What is the InChIKey of [4-[(2-formamidoacetyl)amino]phenyl]methyl N-(2-methylpropyl)carbamate?
The InChIKey is PGIRMWAVNMIGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-11(2)7-17-15(21)22-9-12-3-5-13(6-4-12)18-14(20)8-16-10-19/h3-6,10-11H,7-9H2,1-2H3,(H,16,19)(H,17,21)(H,18,20).
What are the key properties of [4-[(2-formamidoacetyl)amino]phenyl]methyl N-(2-methylpropyl)carbamate?
[4-[(2-formamidoacetyl)amino]phenyl]methyl N-(2-methylpropyl)carbamate has a molecular weight of 307.35 g/mol, XLogP of 1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-formamidoacetyl)amino]phenyl]methyl N-(2-methylpropyl)carbamate is sourced from PubChem (CID 170966798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).