3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide

C16H32N2O — CID 61060237

IUPAC3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-5-11-18-15(19)10-12-17-14-8-6-13(7-9-14)16(2,3)4/h13-14,17H,5-12H2,1-4H3,(H,18,19)
InChIKeyZKYLTSMOGPHYQU-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.10
Rot. Bonds6

About 3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide

3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide (PubChem CID 61060237) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide
PubChem CID61060237
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-5-11-18-15(19)10-12-17-14-8-6-13(7-9-14)16(2,3)4/h13-14,17H,5-12H2,1-4H3,(H,18,19)
InChIKeyZKYLTSMOGPHYQU-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

N-propyl-3-[(4-propylcycloheptyl)amino]propanamide
CID 65091128
N-propyl-3-(thian-4-ylamino)propanamide
CID 61060687
3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide
CID 65091127
methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate
CID 43139776
3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 54935093
3-(cyclopropylamino)-N-(2-hydroxy-2-methylpentyl)propanamide
CID 106292266
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate
CID 60782440
3-(cyclopropylamino)-N-[2-[ethyl(methyl)amino]ethyl]propanamide
CID 62640423
3-[(3-cyclopropylcyclohexyl)amino]-N-propylpropanamide
CID 64623786
3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 113410047

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide (CID 61060237) is 3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide is CCCNC(=O)CCNC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide?
The InChIKey is ZKYLTSMOGPHYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-11-18-15(19)10-12-17-14-8-6-13(7-9-14)16(2,3)4/h13-14,17H,5-12H2,1-4H3,(H,18,19).
What are the key properties of 3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide?
3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide has a molecular weight of 268.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide is sourced from PubChem (CID 61060237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).