tert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate

C16H26N2O2 — CID 107236879

IUPACtert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate
SMILESCCCc1ccc(C(C)NNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-6-7-13-8-10-14(11-9-13)12(2)17-18-15(19)20-16(3,4)5/h8-12,17H,6-7H2,1-5H3,(H,18,19)
InChIKeyQJKNNHOHMUHDRS-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.73
Rot. Bonds5

About tert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate

tert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate (PubChem CID 107236879) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is tert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate
PubChem CID107236879
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nametert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate
SMILESCCCc1ccc(C(C)NNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-6-7-13-8-10-14(11-9-13)12(2)17-18-15(19)20-16(3,4)5/h8-12,17H,6-7H2,1-5H3,(H,18,19)
InChIKeyQJKNNHOHMUHDRS-UHFFFAOYSA-N
XLogP3.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[1-(4-propylphenyl)ethylamino]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

4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid
CID 124664887
tert-butyl N-(1-pyridin-4-ylethylamino)carbamate
CID 16732605
tert-butyl N-[1-(3,4-dichlorophenyl)ethylamino]carbamate
CID 107236972
tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate
CID 107236604
tert-butyl N-[1-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 58393122
tert-butyl N-[1-(4-chloro-3-fluorophenyl)ethylamino]carbamate
CID 107237052
tert-butyl N-[(1S)-1-[4-(1-hydroxypropyl)phenyl]ethyl]carbamate
CID 59861757
tert-butyl N-[1-[4-(chloromethyl)phenyl]ethyl]carbamate
CID 89479163
tert-butyl N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamate
CID 10516674
N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide
CID 81298338
tert-butyl N-[1-(2-ethoxyphenyl)ethylamino]carbamate
CID 107236715
tert-butyl N-(1-phenylbutylamino)carbamate
CID 107236962

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate?
The IUPAC name of tert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate (CID 107236879) is tert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate is CCCc1ccc(C(C)NNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate?
The InChIKey is QJKNNHOHMUHDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-7-13-8-10-14(11-9-13)12(2)17-18-15(19)20-16(3,4)5/h8-12,17H,6-7H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate?
tert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate has a molecular weight of 278.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-propylphenyl)ethylamino]carbamate is sourced from PubChem (CID 107236879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).