2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate

C15H22N2O3 — CID 108574788

IUPAC2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
SMILESCc1ccccc1C(=O)NCCNC(=O)OCC(C)C
InChIInChI=1S/C15H22N2O3/c1-11(2)10-20-15(19)17-9-8-16-14(18)13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyKEKFJMZAGVXEEO-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.11
Rot. Bonds6

About 2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate

2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate (PubChem CID 108574788) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
PubChem CID108574788
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
SMILESCc1ccccc1C(=O)NCCNC(=O)OCC(C)C
InChIInChI=1S/C15H22N2O3/c1-11(2)10-20-15(19)17-9-8-16-14(18)13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyKEKFJMZAGVXEEO-UHFFFAOYSA-N
XLogP2.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
CID 108574783
N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide
CID 108574801
N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408
2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate
CID 108570960
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
2-methyl-5-[(2-methylbenzoyl)amino]pentanoic acid
CID 104681725
tert-butyl N-[2-[2-[(2-methylbenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537173
2-methylpropyl N-[2-(methylamino)ethyl]carbamate
CID 62658921
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
2-methyl-N-(2-nitrosoethyl)benzamide
CID 143519689
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate (CID 108574788) is 2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate is Cc1ccccc1C(=O)NCCNC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate?
The InChIKey is KEKFJMZAGVXEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)10-20-15(19)17-9-8-16-14(18)13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate?
2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 108574788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).