N,N-bis(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide

C14H23NO3 — CID 15346799

IUPACN,N-bis(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide
SMILESC=C(C)C1CC=C(C(=O)N(CCO)CCO)CC1
InChIInChI=1S/C14H23NO3/c1-11(2)12-3-5-13(6-4-12)14(18)15(7-9-16)8-10-17/h5,12,16-17H,1,3-4,6-10H2,2H3
InChIKeyPEYXWNIVEJQIAE-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.10
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide

N,N-bis(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide (PubChem CID 15346799) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide
PubChem CID15346799
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN,N-bis(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide
SMILESC=C(C)C1CC=C(C(=O)N(CCO)CCO)CC1
InChIInChI=1S/C14H23NO3/c1-11(2)12-3-5-13(6-4-12)14(18)15(7-9-16)8-10-17/h5,12,16-17H,1,3-4,6-10H2,2H3
InChIKeyPEYXWNIVEJQIAE-UHFFFAOYSA-N
XLogP1.10
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide (CID 15346799) is N,N-bis(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide is C=C(C)C1CC=C(C(=O)N(CCO)CCO)CC1.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide?
The InChIKey is PEYXWNIVEJQIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(2)12-3-5-13(6-4-12)14(18)15(7-9-16)8-10-17/h5,12,16-17H,1,3-4,6-10H2,2H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide?
N,N-bis(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide has a molecular weight of 253.34 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide is sourced from PubChem (CID 15346799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).