tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate

C16H32N2O3 — CID 103781366

IUPACtert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate
SMILESCCOCC(C)NCCCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C16H32N2O3/c1-6-20-12-13(2)17-10-7-11-18(14-8-9-14)15(19)21-16(3,4)5/h13-14,17H,6-12H2,1-5H3
InChIKeyWQUYMJRLZZDTII-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.79
Rot. Bonds9

About tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate

tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate (PubChem CID 103781366) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate
PubChem CID103781366
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate
SMILESCCOCC(C)NCCCN(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C16H32N2O3/c1-6-20-12-13(2)17-10-7-11-18(14-8-9-14)15(19)21-16(3,4)5/h13-14,17H,6-12H2,1-5H3
InChIKeyWQUYMJRLZZDTII-UHFFFAOYSA-N
XLogP2.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]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-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate
CID 107242908
tert-butyl N-cyclopropyl-N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate
CID 103780880
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
methyl 2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]propanoate
CID 103711065
tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate
CID 103880529
tert-butyl N-cyclopropyl-N-[3-[1-(furan-2-yl)propylamino]propyl]carbamate
CID 107242887
tert-butyl N-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate
CID 107246341
tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate
CID 107242920
tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate
CID 103780903
tert-butyl N-cyclopropyl-N-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]carbamate
CID 107246413
tert-butyl N-cyclopropyl-N-[2-[1-(furan-2-yl)propan-2-ylamino]ethyl]carbamate
CID 107246314
tert-butyl N-cyclopropyl-N-[3-[(4-methoxycyclohexyl)amino]propyl]carbamate
CID 104530154

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate (CID 103781366) is tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate is CCOCC(C)NCCCN(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate?
The InChIKey is WQUYMJRLZZDTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-6-20-12-13(2)17-10-7-11-18(14-8-9-14)15(19)21-16(3,4)5/h13-14,17H,6-12H2,1-5H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate?
tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[3-(1-ethoxypropan-2-ylamino)propyl]carbamate is sourced from PubChem (CID 103781366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).