3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide

C15H30N2O — CID 62407749

IUPAC3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide
SMILESCC(NC(=O)CCNC(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H30N2O/c1-12(13-8-6-5-7-9-13)17-14(18)10-11-16-15(2,3)4/h12-13,16H,5-11H2,1-4H3,(H,17,18)
InChIKeyMPZPKSQTWZGECZ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.85
Rot. Bonds5

About 3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide

3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide (PubChem CID 62407749) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide
PubChem CID62407749
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide
SMILESCC(NC(=O)CCNC(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H30N2O/c1-12(13-8-6-5-7-9-13)17-14(18)10-11-16-15(2,3)4/h12-13,16H,5-11H2,1-4H3,(H,17,18)
InChIKeyMPZPKSQTWZGECZ-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide
CID 114115155
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492
4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914
3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide
CID 81391715
4-[[(1R)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81390074
N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide
CID 81392455
N-[(1S)-1-cyclohexylethyl]-3-piperidin-4-ylpropanamide
CID 81386056
6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide
CID 81393462
N-(1-cyclohexylethyl)-3-piperidin-4-ylpropanamide
CID 62405617
5-[[(1S)-1-cycloheptylethyl]amino]-5-oxopentanoic acid
CID 81391268
6-(1-cyclohexylethylamino)-6-oxohexanoic acid
CID 62405389

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide (CID 62407749) is 3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide is CC(NC(=O)CCNC(C)(C)C)C1CCCCC1.
What is the InChIKey of 3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide?
The InChIKey is MPZPKSQTWZGECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(13-8-6-5-7-9-13)17-14(18)10-11-16-15(2,3)4/h12-13,16H,5-11H2,1-4H3,(H,17,18).
What are the key properties of 3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide?
3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide has a molecular weight of 254.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide is sourced from PubChem (CID 62407749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).