N-cyclohexyl-N-(cyclohexylcarbamoyl)prop-2-enamide

C16H26N2O2 — CID 14644433

IUPACN-cyclohexyl-N-(cyclohexylcarbamoyl)prop-2-enamide
SMILESC=CC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H26N2O2/c1-2-15(19)18(14-11-7-4-8-12-14)16(20)17-13-9-5-3-6-10-13/h2,13-14H,1,3-12H2,(H,17,20)
InChIKeyDCZMOCXMKNBWOJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.38
Rot. Bonds3

About N-cyclohexyl-N-(cyclohexylcarbamoyl)prop-2-enamide

N-cyclohexyl-N-(cyclohexylcarbamoyl)prop-2-enamide (PubChem CID 14644433) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-cyclohexyl-N-(cyclohexylcarbamoyl)prop-2-enamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(cyclohexylcarbamoyl)prop-2-enamide
PubChem CID14644433
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-cyclohexyl-N-(cyclohexylcarbamoyl)prop-2-enamide
SMILESC=CC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H26N2O2/c1-2-15(19)18(14-11-7-4-8-12-14)16(20)17-13-9-5-3-6-10-13/h2,13-14H,1,3-12H2,(H,17,20)
InChIKeyDCZMOCXMKNBWOJ-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Cyclohexylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione
CID 777234
1-Cyclohexyluracil
CID 96505
6-(cyclohexylamino)-3-methylpyrimidine-2,4(1H,3H)-dione
CID 777243
(2E)-N1,N4-Dicyclohexyl-2-butenediamide
CID 11708919
N-Cyclohexyl-N-(cyclohexylcarbamoyl)-2-methylprop-2-enamide
CID 12575352
(E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)but-2-enamide
CID 101542370
Cyclohexyluracil
CID 69480712
1,3-dicyclohexyl-6-(methylamino)-2,4(1H,3H)-pyrimidinedione
CID 822318
Cyclohexyl-trimethylen-uracil
CID 129636495
N-allyl-N,N'-dicyclohexylurea
CID 134811561
1-[3-(Cyclohexylamino)propyl]-5-fluoropyrimidine-2,4-dione
CID 63556806
6-(Cyclohexylamino)-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
CID 4482153

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(cyclohexylcarbamoyl)prop-2-enamide?
The IUPAC name of N-cyclohexyl-N-(cyclohexylcarbamoyl)prop-2-enamide (CID 14644433) is N-cyclohexyl-N-(cyclohexylcarbamoyl)prop-2-enamide.
What is the SMILES notation for N-cyclohexyl-N-(cyclohexylcarbamoyl)prop-2-enamide?
The canonical SMILES for N-cyclohexyl-N-(cyclohexylcarbamoyl)prop-2-enamide is C=CC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(cyclohexylcarbamoyl)prop-2-enamide?
The InChIKey is DCZMOCXMKNBWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-15(19)18(14-11-7-4-8-12-14)16(20)17-13-9-5-3-6-10-13/h2,13-14H,1,3-12H2,(H,17,20).
What are the key properties of N-cyclohexyl-N-(cyclohexylcarbamoyl)prop-2-enamide?
N-cyclohexyl-N-(cyclohexylcarbamoyl)prop-2-enamide has a molecular weight of 278.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(cyclohexylcarbamoyl)prop-2-enamide is sourced from PubChem (CID 14644433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).