propan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxopropan-2-yl]carbamate

C17H26N2O3 — CID 163802237

IUPACpropan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxopropan-2-yl]carbamate
SMILESCCc1ccc(C(C)NC(=O)C(C)NC(=O)OC(C)C)cc1
InChIInChI=1S/C17H26N2O3/c1-6-14-7-9-15(10-8-14)12(4)18-16(20)13(5)19-17(21)22-11(2)3/h7-13H,6H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyQITSAYPGZSTYAP-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.95
Rot. Bonds6

About propan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxopropan-2-yl]carbamate

propan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxopropan-2-yl]carbamate (PubChem CID 163802237) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is propan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxopropan-2-yl]carbamate
PubChem CID163802237
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Namepropan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxopropan-2-yl]carbamate
SMILESCCc1ccc(C(C)NC(=O)C(C)NC(=O)OC(C)C)cc1
InChIInChI=1S/C17H26N2O3/c1-6-14-7-9-15(10-8-14)12(4)18-16(20)13(5)19-17(21)22-11(2)3/h7-13H,6H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyQITSAYPGZSTYAP-UHFFFAOYSA-N
XLogP2.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 15215908
3-amino-4-[1-(4-ethylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896081
propan-2-yl N-[3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate
CID 6914821
N-[1-(4-ethylphenyl)ethyl]-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 111542488
2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide
CID 81083669
(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928673
2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 76887263
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
CID 18108336
N-[1-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 17326783
N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
CID 54896208
3-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
CID 55049684
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxopropan-2-yl]carbamate (CID 163802237) is propan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxopropan-2-yl]carbamate is CCc1ccc(C(C)NC(=O)C(C)NC(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxopropan-2-yl]carbamate?
The InChIKey is QITSAYPGZSTYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-6-14-7-9-15(10-8-14)12(4)18-16(20)13(5)19-17(21)22-11(2)3/h7-13H,6H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of propan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxopropan-2-yl]carbamate?
propan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxopropan-2-yl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 163802237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).