1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide

C24H30N2O2 — CID 40636599

IUPAC1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
SMILESC[C@H](NC(=O)C1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H30N2O2/c1-17(19-9-5-3-6-10-19)25-23(27)21-13-15-22(16-14-21)24(28)26-18(2)20-11-7-4-8-12-20/h3-12,17-18,21-22H,13-16H2,1-2H3,(H,25,27)(H,26,28)/t17-,18-,21?,22?/m0/s1
InChIKeyHMNTUKOICIYDGZ-HTAFUYNTSA-N
MW378.52 g/mol
LogP4.55
Rot. Bonds6

About 1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide

1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide (PubChem CID 40636599) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
PubChem CID40636599
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
SMILESC[C@H](NC(=O)C1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H30N2O2/c1-17(19-9-5-3-6-10-19)25-23(27)21-13-15-22(16-14-21)24(28)26-18(2)20-11-7-4-8-12-20/h3-12,17-18,21-22H,13-16H2,1-2H3,(H,25,27)(H,26,28)/t17-,18-,21?,22?/m0/s1
InChIKeyHMNTUKOICIYDGZ-HTAFUYNTSA-N
XLogP4.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
N-[(1R)-1-phenylethyl]azetidine-3-carboxamide
CID 79026254
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148218
1-(cyclopropanecarbonylamino)-3-[(1S)-1-phenylethyl]thiourea
CID 27209991
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
2-oxo-N-(1-phenylethyl)piperidine-4-carboxamide
CID 110682047
(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 174863774

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide (CID 40636599) is 1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide is C[C@H](NC(=O)C1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is HMNTUKOICIYDGZ-HTAFUYNTSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17(19-9-5-3-6-10-19)25-23(27)21-13-15-22(16-14-21)24(28)26-18(2)20-11-7-4-8-12-20/h3-12,17-18,21-22H,13-16H2,1-2H3,(H,25,27)(H,26,28)/t17-,18-,21?,22?/m0/s1.
What are the key properties of 1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 40636599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).