N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid

C14H23NO3 — CID 175055430

IUPACN-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)NC1CCCCC1.C=C(C)C(=O)O
InChIInChI=1S/C10H17NO.C4H6O2/c1-8(2)10(12)11-9-6-4-3-5-7-9;1-3(2)4(5)6/h9H,1,3-7H2,2H3,(H,11,12);1H2,2H3,(H,5,6)
InChIKeyOOLNTZPDBORBNR-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.66
Rot. Bonds3

About N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid

N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid (PubChem CID 175055430) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid.

Molecular Properties

Compound NameN-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid
PubChem CID175055430
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)NC1CCCCC1.C=C(C)C(=O)O
InChIInChI=1S/C10H17NO.C4H6O2/c1-8(2)10(12)11-9-6-4-3-5-7-9;1-3(2)4(5)6/h9H,1,3-7H2,2H3,(H,11,12);1H2,2H3,(H,5,6)
InChIKeyOOLNTZPDBORBNR-UHFFFAOYSA-N
XLogP2.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclododecyl-2-methylprop-2-enamide
CID 66733963
N-cyclohexyl-2-oxopropanamide
CID 12861109
cycloheptylcycloheptane;2-methylprop-2-enoic acid
CID 22186228
cyclohexane;2-methylprop-2-enoic acid
CID 66795649
N,2-dicyclohexylprop-2-enamide
CID 102470871
(E)-N-cyclohexyl-2-methylbut-2-enamide
CID 14316395
2-[4-(2-methylprop-2-enoylamino)piperidin-1-yl]acetic acid
CID 67045024
2-methylprop-1-ene;N-prop-1-en-2-ylcyclohexanamine
CID 143490405
(E)-N-cyclopentyl-2-methylbut-2-enamide
CID 89351716
2-(cycloheptylamino)-3-methylbut-3-enoic acid
CID 114784625
4-(cyclohexylamino)-2-methylidene-4-oxobutanoic acid
CID 121219316
N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide
CID 2975425

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid?
The IUPAC name of N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid (CID 175055430) is N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid.
What is the SMILES notation for N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid?
The canonical SMILES for N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid is C=C(C)C(=O)NC1CCCCC1.C=C(C)C(=O)O.
What is the InChIKey of N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid?
The InChIKey is OOLNTZPDBORBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C4H6O2/c1-8(2)10(12)11-9-6-4-3-5-7-9;1-3(2)4(5)6/h9H,1,3-7H2,2H3,(H,11,12);1H2,2H3,(H,5,6).
What are the key properties of N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid?
N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid has a molecular weight of 253.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methylprop-2-enamide;2-methylprop-2-enoic acid is sourced from PubChem (CID 175055430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).