N-[2-[1-(3,4-dihydroxybutyl)cyclohexyl]ethyl]prop-2-enamide

C15H27NO3 — CID 151144056

IUPACN-[2-[1-(3,4-dihydroxybutyl)cyclohexyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCC1(CCC(O)CO)CCCCC1
InChIInChI=1S/C15H27NO3/c1-2-14(19)16-11-10-15(7-4-3-5-8-15)9-6-13(18)12-17/h2,13,17-18H,1,3-12H2,(H,16,19)
InChIKeyMWUVHPBIRQAWNS-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.76
Rot. Bonds8

About N-[2-[1-(3,4-dihydroxybutyl)cyclohexyl]ethyl]prop-2-enamide

N-[2-[1-(3,4-dihydroxybutyl)cyclohexyl]ethyl]prop-2-enamide (PubChem CID 151144056) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[2-[1-(3,4-dihydroxybutyl)cyclohexyl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[1-(3,4-dihydroxybutyl)cyclohexyl]ethyl]prop-2-enamide
PubChem CID151144056
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[2-[1-(3,4-dihydroxybutyl)cyclohexyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCC1(CCC(O)CO)CCCCC1
InChIInChI=1S/C15H27NO3/c1-2-14(19)16-11-10-15(7-4-3-5-8-15)9-6-13(18)12-17/h2,13,17-18H,1,3-12H2,(H,16,19)
InChIKeyMWUVHPBIRQAWNS-UHFFFAOYSA-N
XLogP1.76
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3,4-dihydroxybutyl)cyclohexyl]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[1-(3,4-dihydroxybutyl)cyclohexyl]ethyl]prop-2-enamide (CID 151144056) is N-[2-[1-(3,4-dihydroxybutyl)cyclohexyl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[1-(3,4-dihydroxybutyl)cyclohexyl]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[1-(3,4-dihydroxybutyl)cyclohexyl]ethyl]prop-2-enamide is C=CC(=O)NCCC1(CCC(O)CO)CCCCC1.
What is the InChIKey of N-[2-[1-(3,4-dihydroxybutyl)cyclohexyl]ethyl]prop-2-enamide?
The InChIKey is MWUVHPBIRQAWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-14(19)16-11-10-15(7-4-3-5-8-15)9-6-13(18)12-17/h2,13,17-18H,1,3-12H2,(H,16,19).
What are the key properties of N-[2-[1-(3,4-dihydroxybutyl)cyclohexyl]ethyl]prop-2-enamide?
N-[2-[1-(3,4-dihydroxybutyl)cyclohexyl]ethyl]prop-2-enamide has a molecular weight of 269.38 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3,4-dihydroxybutyl)cyclohexyl]ethyl]prop-2-enamide is sourced from PubChem (CID 151144056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).