2-(diethylcarbamoyl)-7,7-diphenylhept-6-enoic acid

C24H29NO3 — CID 10499941

IUPAC2-(diethylcarbamoyl)-7,7-diphenylhept-6-enoic acid
SMILESCCN(CC)C(=O)C(CCCC=C(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H29NO3/c1-3-25(4-2)23(26)22(24(27)28)18-12-11-17-21(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-17,22H,3-4,11-12,18H2,1-2H3,(H,27,28)
InChIKeyHHIZTJRJTCLVMZ-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.86
Rot. Bonds10

About 2-(diethylcarbamoyl)-7,7-diphenylhept-6-enoic acid

2-(diethylcarbamoyl)-7,7-diphenylhept-6-enoic acid (PubChem CID 10499941) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(diethylcarbamoyl)-7,7-diphenylhept-6-enoic acid.

Molecular Properties

Compound Name2-(diethylcarbamoyl)-7,7-diphenylhept-6-enoic acid
PubChem CID10499941
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name2-(diethylcarbamoyl)-7,7-diphenylhept-6-enoic acid
SMILESCCN(CC)C(=O)C(CCCC=C(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H29NO3/c1-3-25(4-2)23(26)22(24(27)28)18-12-11-17-21(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-17,22H,3-4,11-12,18H2,1-2H3,(H,27,28)
InChIKeyHHIZTJRJTCLVMZ-UHFFFAOYSA-N
XLogP4.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;1-phenyltetradec-1-enylbenzene
CID 173018182
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(E)-2-(2-hydroxypropan-2-yl)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
CID 13417319
methyl 8,8-diphenyloct-7-enoate
CID 13104337
1-phenylhepta-1,6-dienylbenzene
CID 11021254
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
CID 174412487
CID 174412487
4-(1-phenylpent-1-enyl)phenol
CID 57219514
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
3-[(E)-1-phenylhex-1-enyl]pyridine
CID 67869388
(2R)-2-(4,4-diphenylbut-3-enylamino)-3-hydroxypropanoic acid
CID 10244952
5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid
CID 57178273

Frequently Asked Questions

What is the IUPAC name of 2-(diethylcarbamoyl)-7,7-diphenylhept-6-enoic acid?
The IUPAC name of 2-(diethylcarbamoyl)-7,7-diphenylhept-6-enoic acid (CID 10499941) is 2-(diethylcarbamoyl)-7,7-diphenylhept-6-enoic acid.
What is the SMILES notation for 2-(diethylcarbamoyl)-7,7-diphenylhept-6-enoic acid?
The canonical SMILES for 2-(diethylcarbamoyl)-7,7-diphenylhept-6-enoic acid is CCN(CC)C(=O)C(CCCC=C(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of 2-(diethylcarbamoyl)-7,7-diphenylhept-6-enoic acid?
The InChIKey is HHIZTJRJTCLVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-3-25(4-2)23(26)22(24(27)28)18-12-11-17-21(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-17,22H,3-4,11-12,18H2,1-2H3,(H,27,28).
What are the key properties of 2-(diethylcarbamoyl)-7,7-diphenylhept-6-enoic acid?
2-(diethylcarbamoyl)-7,7-diphenylhept-6-enoic acid has a molecular weight of 379.50 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylcarbamoyl)-7,7-diphenylhept-6-enoic acid is sourced from PubChem (CID 10499941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).