N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide

C14H28N2O — CID 81396140

IUPACN-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide
SMILESCCC(C)NC(=O)C(C)N[C@@H](C)C1CCCC1
InChIInChI=1S/C14H28N2O/c1-5-10(2)15-14(17)12(4)16-11(3)13-8-6-7-9-13/h10-13,16H,5-9H2,1-4H3,(H,15,17)/t10?,11-,12?/m0/s1
InChIKeyCACFVTJBDXKEAR-CXQJBGSLSA-N
MW240.39 g/mol
LogP2.46
Rot. Bonds6

About N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide

N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide (PubChem CID 81396140) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide
PubChem CID81396140
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide
SMILESCCC(C)NC(=O)C(C)N[C@@H](C)C1CCCC1
InChIInChI=1S/C14H28N2O/c1-5-10(2)15-14(17)12(4)16-11(3)13-8-6-7-9-13/h10-13,16H,5-9H2,1-4H3,(H,15,17)/t10?,11-,12?/m0/s1
InChIKeyCACFVTJBDXKEAR-CXQJBGSLSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide
CID 62405918
2-(1-cyclopropylethylamino)-N-pentan-2-ylpropanamide
CID 43420322
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81393775
N-cyclohexyl-2-[[(1S)-1-cyclohexylethyl]amino]propanamide
CID 81384329
N-cyclohexyl-2-[[(1R)-1-cyclohexylethyl]amino]propanamide
CID 81384882
2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide
CID 81384429
2-(1-cyclohexylethylamino)-N-cyclopropylpropanamide
CID 62405745
2-[[(1R)-1-cyclohexylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81385143
N-carbamoyl-2-[[(1R)-1-cyclopentylethyl]amino]propanamide
CID 81394882
2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide
CID 81392391
N-tert-butyl-2-[[(1R)-1-cyclopentylethyl]amino]propanamide
CID 81394701
ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81393902

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide (CID 81396140) is N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide is CCC(C)NC(=O)C(C)N[C@@H](C)C1CCCC1.
What is the InChIKey of N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide?
The InChIKey is CACFVTJBDXKEAR-CXQJBGSLSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-10(2)15-14(17)12(4)16-11(3)13-8-6-7-9-13/h10-13,16H,5-9H2,1-4H3,(H,15,17)/t10?,11-,12?/m0/s1.
What are the key properties of N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide?
N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide has a molecular weight of 240.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[(1S)-1-cyclopentylethyl]amino]propanamide is sourced from PubChem (CID 81396140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).