(E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide

C12H21NO — CID 81384583

IUPAC(E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide
SMILESC/C=C/C(=O)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C12H21NO/c1-3-7-12(14)13-10(2)11-8-5-4-6-9-11/h3,7,10-11H,4-6,8-9H2,1-2H3,(H,13,14)/b7-3+/t10-/m0/s1
InChIKeyDLWKTBASOFHFAJ-HTZNOQTFSA-N
MW195.31 g/mol
LogP2.65
Rot. Bonds3

About (E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide

(E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide (PubChem CID 81384583) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide
PubChem CID81384583
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide
SMILESC/C=C/C(=O)N[C@@H](C)C1CCCCC1
InChIInChI=1S/C12H21NO/c1-3-7-12(14)13-10(2)11-8-5-4-6-9-11/h3,7,10-11H,4-6,8-9H2,1-2H3,(H,13,14)/b7-3+/t10-/m0/s1
InChIKeyDLWKTBASOFHFAJ-HTZNOQTFSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-cycloheptylethyl]prop-2-enamide
CID 81392730
N-(1-cyclohexylethyl)prop-2-enamide
CID 541857
(E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide
CID 115344773
N-[(1S)-1-cyclopentylethyl]acetamide
CID 81388909
4-(1-cyclohexylethylcarbamoylamino)-4-oxobut-2-enoic acid
CID 76943271
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492
2-bromo-N-(1-cyclohexylethyl)propanamide
CID 107905148
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
(E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide
CID 134844931
[(1R)-1-cyclohexylethyl]carbamoylphosphonic acid
CID 10037048

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide?
The IUPAC name of (E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide (CID 81384583) is (E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide?
The canonical SMILES for (E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide is C/C=C/C(=O)N[C@@H](C)C1CCCCC1.
What is the InChIKey of (E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide?
The InChIKey is DLWKTBASOFHFAJ-HTZNOQTFSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-7-12(14)13-10(2)11-8-5-4-6-9-11/h3,7,10-11H,4-6,8-9H2,1-2H3,(H,13,14)/b7-3+/t10-/m0/s1.
What are the key properties of (E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide?
(E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide is sourced from PubChem (CID 81384583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).