8-carbamoyl-12-hydroxy-16,16-dimethylheptadecanoic acid

C20H39NO4 — CID 21401698

IUPAC8-carbamoyl-12-hydroxy-16,16-dimethylheptadecanoic acid
SMILESCC(C)(C)CCCC(O)CCCC(CCCCCCC(=O)O)C(N)=O
InChIInChI=1S/C20H39NO4/c1-20(2,3)15-9-13-17(22)12-8-11-16(19(21)25)10-6-4-5-7-14-18(23)24/h16-17,22H,4-15H2,1-3H3,(H2,21,25)(H,23,24)
InChIKeyHSMTUKKAYXNTDU-UHFFFAOYSA-N
MW357.54 g/mol
LogP4.26
Rot. Bonds15

About 8-carbamoyl-12-hydroxy-16,16-dimethylheptadecanoic acid

8-carbamoyl-12-hydroxy-16,16-dimethylheptadecanoic acid (PubChem CID 21401698) has the molecular formula C20H39NO4 and a molecular weight of 357.54 g/mol. Its IUPAC name is 8-carbamoyl-12-hydroxy-16,16-dimethylheptadecanoic acid.

Molecular Properties

Compound Name8-carbamoyl-12-hydroxy-16,16-dimethylheptadecanoic acid
PubChem CID21401698
Molecular FormulaC20H39NO4
Molecular Weight357.54 g/mol
Exact Mass357.29
IUPAC Name8-carbamoyl-12-hydroxy-16,16-dimethylheptadecanoic acid
SMILESCC(C)(C)CCCC(O)CCCC(CCCCCCC(=O)O)C(N)=O
InChIInChI=1S/C20H39NO4/c1-20(2,3)15-9-13-17(22)12-8-11-16(19(21)25)10-6-4-5-7-14-18(23)24/h16-17,22H,4-15H2,1-3H3,(H2,21,25)(H,23,24)
InChIKeyHSMTUKKAYXNTDU-UHFFFAOYSA-N
XLogP4.26
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[carbamoyl-(4-hydroxy-8,8-dimethylnonyl)amino]heptanoic acid
CID 54091292
12-carbamoyltricosanoic acid
CID 118615002
7-carbamoylpentadecanoic acid
CID 140987363
5-hydroxytridecanedioic acid
CID 139805426
6,6-dimethylheptanoic acid;7-methyloctanoic acid
CID 158485923
16,19-dihydroxydocosanoic acid
CID 169277473
18,21-dihydroxytriacontanoic acid
CID 169277047
copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 91844645
cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid
CID 170845955
cerium;bis(7,7-dimethyloctanoic acid);8-methylnonanoic acid
CID 170846310
cobalt;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 170845954
6,6-dimethylheptanoic acid;8,8-dimethylnonanoic acid;zinc
CID 56844104

Frequently Asked Questions

What is the IUPAC name of 8-carbamoyl-12-hydroxy-16,16-dimethylheptadecanoic acid?
The IUPAC name of 8-carbamoyl-12-hydroxy-16,16-dimethylheptadecanoic acid (CID 21401698) is 8-carbamoyl-12-hydroxy-16,16-dimethylheptadecanoic acid.
What is the SMILES notation for 8-carbamoyl-12-hydroxy-16,16-dimethylheptadecanoic acid?
The canonical SMILES for 8-carbamoyl-12-hydroxy-16,16-dimethylheptadecanoic acid is CC(C)(C)CCCC(O)CCCC(CCCCCCC(=O)O)C(N)=O.
What is the InChIKey of 8-carbamoyl-12-hydroxy-16,16-dimethylheptadecanoic acid?
The InChIKey is HSMTUKKAYXNTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO4/c1-20(2,3)15-9-13-17(22)12-8-11-16(19(21)25)10-6-4-5-7-14-18(23)24/h16-17,22H,4-15H2,1-3H3,(H2,21,25)(H,23,24).
What are the key properties of 8-carbamoyl-12-hydroxy-16,16-dimethylheptadecanoic acid?
8-carbamoyl-12-hydroxy-16,16-dimethylheptadecanoic acid has a molecular weight of 357.54 g/mol, XLogP of 4.26, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbamoyl-12-hydroxy-16,16-dimethylheptadecanoic acid is sourced from PubChem (CID 21401698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).