2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide

C16H32N2O — CID 43224075

IUPAC2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H32N2O/c1-6-11-17-15(19)12(2)18-14-10-8-7-9-13(14)16(3,4)5/h12-14,18H,6-11H2,1-5H3,(H,17,19)
InChIKeyVSFSXZUDEDIKJN-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.10
Rot. Bonds5

About 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide

2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide (PubChem CID 43224075) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide
PubChem CID43224075
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H32N2O/c1-6-11-17-15(19)12(2)18-14-10-8-7-9-13(14)16(3,4)5/h12-14,18H,6-11H2,1-5H3,(H,17,19)
InChIKeyVSFSXZUDEDIKJN-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide 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

N-butan-2-yl-2-tert-butylcyclohexan-1-amine
CID 43078481
tert-butyl N-[2-[(2-tert-butylcyclohexyl)amino]butyl]carbamate
CID 107250829
2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide
CID 102731613
3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol
CID 115722818
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide
CID 105363972
N-butyl-2-[(2,3-dimethylcyclohexyl)amino]propanamide
CID 43113278
(2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide
CID 61174579
2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride
CID 119285417
N-propyl-2-(3-tricyclo[3.2.1.02,4]octanylamino)propanamide
CID 114095959
N-(2-tert-butylcyclohexyl)-2-methoxypropanamide
CID 112685778
2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide
CID 43699363
2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide
CID 116675144

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide (CID 43224075) is 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide is CCCNC(=O)C(C)NC1CCCCC1C(C)(C)C.
What is the InChIKey of 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide?
The InChIKey is VSFSXZUDEDIKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-11-17-15(19)12(2)18-14-10-8-7-9-13(14)16(3,4)5/h12-14,18H,6-11H2,1-5H3,(H,17,19).
What are the key properties of 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide?
2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide has a molecular weight of 268.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylcyclohexyl)amino]-N-propylpropanamide is sourced from PubChem (CID 43224075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).