tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate

C17H27NO2 — CID 18378512

IUPACtert-butyl N-(2-ethyl-1-phenylbutyl)carbamate
SMILESCCC(CC)C(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-6-13(7-2)15(14-11-9-8-10-12-14)18-16(19)20-17(3,4)5/h8-13,15H,6-7H2,1-5H3,(H,18,19)
InChIKeyDDTKTHGWPMFQRD-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.69
Rot. Bonds5

About tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate

tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate (PubChem CID 18378512) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-ethyl-1-phenylbutyl)carbamate
PubChem CID18378512
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nametert-butyl N-(2-ethyl-1-phenylbutyl)carbamate
SMILESCCC(CC)C(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-6-13(7-2)15(14-11-9-8-10-12-14)18-16(19)20-17(3,4)5/h8-13,15H,6-7H2,1-5H3,(H,18,19)
InChIKeyDDTKTHGWPMFQRD-UHFFFAOYSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 56828048
tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate
CID 102077726
tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate
CID 20805642
tert-butyl N-[(1R,2R)-2-nitro-1-phenylpropyl]carbamate
CID 102077718
tert-butyl N-[(1R)-2,2-dicyano-1-phenylethyl]carbamate
CID 122398460
(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 7010686
tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate
CID 24788666
ethyl (2S)-2-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]-3-oxobutanoate
CID 46913460
methyl (3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56636219
tert-butyl N-(2-methyl-3-oxo-1-phenylheptyl)carbamate
CID 10286488
dibenzyl 2-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]propanedioate
CID 102184281

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate?
The IUPAC name of tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate (CID 18378512) is tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate?
The canonical SMILES for tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate is CCC(CC)C(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate?
The InChIKey is DDTKTHGWPMFQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-13(7-2)15(14-11-9-8-10-12-14)18-16(19)20-17(3,4)5/h8-13,15H,6-7H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate?
tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate has a molecular weight of 277.41 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate is sourced from PubChem (CID 18378512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).