N-butan-2-yl-3-(cyclohexylamino)propanamide

C13H26N2O — CID 60956493

IUPACN-butan-2-yl-3-(cyclohexylamino)propanamide
SMILESCCC(C)NC(=O)CCNC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-11(2)15-13(16)9-10-14-12-7-5-4-6-8-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyCLBYASJORFHLTE-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.21
Rot. Bonds6

About N-butan-2-yl-3-(cyclohexylamino)propanamide

N-butan-2-yl-3-(cyclohexylamino)propanamide (PubChem CID 60956493) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-butan-2-yl-3-(cyclohexylamino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(cyclohexylamino)propanamide
PubChem CID60956493
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-butan-2-yl-3-(cyclohexylamino)propanamide
SMILESCCC(C)NC(=O)CCNC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-11(2)15-13(16)9-10-14-12-7-5-4-6-8-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyCLBYASJORFHLTE-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54901207
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CID 134056980
N'-butan-2-yl-N-cycloheptylpropanediamide
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2-(cycloheptylamino)-N-pentan-2-ylacetamide
CID 60688089
2-(cyclohexylamino)-N-pentan-2-ylacetamide
CID 60683795
N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide
CID 54901056
3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide
CID 113409685
N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide
CID 115756514
N'-butan-2-yl-N-cyclohexylethane-1,2-diamine
CID 44630792
3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 113410047
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide
CID 119165178

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(cyclohexylamino)propanamide?
The IUPAC name of N-butan-2-yl-3-(cyclohexylamino)propanamide (CID 60956493) is N-butan-2-yl-3-(cyclohexylamino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(cyclohexylamino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(cyclohexylamino)propanamide is CCC(C)NC(=O)CCNC1CCCCC1.
What is the InChIKey of N-butan-2-yl-3-(cyclohexylamino)propanamide?
The InChIKey is CLBYASJORFHLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-11(2)15-13(16)9-10-14-12-7-5-4-6-8-12/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-butan-2-yl-3-(cyclohexylamino)propanamide?
N-butan-2-yl-3-(cyclohexylamino)propanamide has a molecular weight of 226.36 g/mol, XLogP of 2.21, 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-3-(cyclohexylamino)propanamide is sourced from PubChem (CID 60956493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).