benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate

C20H24N2O3 — CID 159867528

IUPACbenzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate
SMILESCC(C)c1cccc(C(=O)NCCNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-15(2)17-9-6-10-18(13-17)19(23)21-11-12-22-20(24)25-14-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOXCJEBIMKZHCJF-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.47
Rot. Bonds7

About benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate

benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate (PubChem CID 159867528) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate
PubChem CID159867528
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namebenzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate
SMILESCC(C)c1cccc(C(=O)NCCNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-15(2)17-9-6-10-18(13-17)19(23)21-11-12-22-20(24)25-14-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOXCJEBIMKZHCJF-UHFFFAOYSA-N
XLogP3.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.47
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

benzyl N-(2-benzamidoethyl)carbamate
CID 12715872
benzyl N-[2-(benzhydrylamino)ethyl]carbamate
CID 139788577
(3-propan-2-ylphenyl)methyl N-(4-aminobutyl)carbamate
CID 90058854
2-[(3-propan-2-ylphenyl)methoxycarbonylamino]ethanesulfonic acid
CID 90058831
methyl 3-[2-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 175662966
2-[(3-propan-2-ylbenzoyl)amino]acetic acid
CID 90058974
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
phenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate
CID 175023346
benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate
CID 10236470
benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 125117230

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate (CID 159867528) is benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate is CC(C)c1cccc(C(=O)NCCNC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate?
The InChIKey is OXCJEBIMKZHCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(2)17-9-6-10-18(13-17)19(23)21-11-12-22-20(24)25-14-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate?
benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate has a molecular weight of 340.42 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 159867528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).