2-[(1R)-1-phenylethyl]imino-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide

C21H28N2O — CID 10615996

IUPAC2-[(1R)-1-phenylethyl]imino-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CCCC/C1=N\[C@H](C)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-4-15-23(16-5-2)21(24)19-13-9-10-14-20(19)22-17(3)18-11-7-6-8-12-18/h4-8,11-12,17,19H,1-2,9-10,13-16H2,3H3/b22-20+/t17-,19?/m1/s1
InChIKeySUILYXBVBHTKHR-FYTATQBJSA-N
MW324.47 g/mol
LogP4.58
Rot. Bonds7

About 2-[(1R)-1-phenylethyl]imino-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide

2-[(1R)-1-phenylethyl]imino-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide (PubChem CID 10615996) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[(1R)-1-phenylethyl]imino-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-[(1R)-1-phenylethyl]imino-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide
PubChem CID10615996
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name2-[(1R)-1-phenylethyl]imino-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CCCC/C1=N\[C@H](C)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-4-15-23(16-5-2)21(24)19-13-9-10-14-20(19)22-17(3)18-11-7-6-8-12-18/h4-8,11-12,17,19H,1-2,9-10,13-16H2,3H3/b22-20+/t17-,19?/m1/s1
InChIKeySUILYXBVBHTKHR-FYTATQBJSA-N
XLogP4.58
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-phenylethyl]imino-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-[(1R)-1-phenylethyl]imino-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide (CID 10615996) is 2-[(1R)-1-phenylethyl]imino-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-[(1R)-1-phenylethyl]imino-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-[(1R)-1-phenylethyl]imino-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide is C=CCN(CC=C)C(=O)C1CCCC/C1=N\[C@H](C)c1ccccc1.
What is the InChIKey of 2-[(1R)-1-phenylethyl]imino-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide?
The InChIKey is SUILYXBVBHTKHR-FYTATQBJSA-N. The full InChI is InChI=1S/C21H28N2O/c1-4-15-23(16-5-2)21(24)19-13-9-10-14-20(19)22-17(3)18-11-7-6-8-12-18/h4-8,11-12,17,19H,1-2,9-10,13-16H2,3H3/b22-20+/t17-,19?/m1/s1.
What are the key properties of 2-[(1R)-1-phenylethyl]imino-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide?
2-[(1R)-1-phenylethyl]imino-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-phenylethyl]imino-N,N-bis(prop-2-enyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 10615996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).