3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide

C14H28N2O — CID 54928774

IUPAC3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)CCNC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-11-5-7-12(8-6-11)16-13(17)9-10-15-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyFJRABLSBSQHDHV-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.46
Rot. Bonds4

About 3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide

3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide (PubChem CID 54928774) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide
PubChem CID54928774
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)CCNC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-11-5-7-12(8-6-11)16-13(17)9-10-15-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyFJRABLSBSQHDHV-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide
CID 79400913
3-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 90305092
3-(tert-butylamino)-N-(2-methylcyclopropyl)propanamide
CID 62398948
3-(tert-butylamino)-N-(3-hydroxycyclohexyl)propanamide
CID 54927744
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-cyclopropyl-3-[(3-methylcyclopentyl)methylamino]propanamide
CID 107412683
3-(tert-butylamino)-N-(5-oxopyrrolidin-3-yl)propanamide
CID 106187499
N,N'-dicyclopropylbutanediamide
CID 5225156
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554
3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide
CID 62407749
1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111764337
2-(methylamino)-N-(4-methylcyclohexyl)acetamide
CID 24706829

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide (CID 54928774) is 3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide is CC1CCC(NC(=O)CCNC(C)(C)C)CC1.
What is the InChIKey of 3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide?
The InChIKey is FJRABLSBSQHDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11-5-7-12(8-6-11)16-13(17)9-10-15-14(2,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide?
3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide has a molecular weight of 240.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 54928774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).