2,4-dihydroxy-N-phenyldodecanamide

C18H29NO3 — CID 91612582

IUPAC2,4-dihydroxy-N-phenyldodecanamide
SMILESCCCCCCCCC(O)CC(O)C(=O)Nc1ccccc1
InChIInChI=1S/C18H29NO3/c1-2-3-4-5-6-10-13-16(20)14-17(21)18(22)19-15-11-8-7-9-12-15/h7-9,11-12,16-17,20-21H,2-6,10,13-14H2,1H3,(H,19,22)
InChIKeyCBNGGBREIMZVBI-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.49
Rot. Bonds11

About 2,4-dihydroxy-N-phenyldodecanamide

2,4-dihydroxy-N-phenyldodecanamide (PubChem CID 91612582) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 2,4-dihydroxy-N-phenyldodecanamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-phenyldodecanamide
PubChem CID91612582
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name2,4-dihydroxy-N-phenyldodecanamide
SMILESCCCCCCCCC(O)CC(O)C(=O)Nc1ccccc1
InChIInChI=1S/C18H29NO3/c1-2-3-4-5-6-10-13-16(20)14-17(21)18(22)19-15-11-8-7-9-12-15/h7-9,11-12,16-17,20-21H,2-6,10,13-14H2,1H3,(H,19,22)
InChIKeyCBNGGBREIMZVBI-UHFFFAOYSA-N
XLogP3.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.49
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

2-tert-butyl-N-phenylheptanamide
CID 67683128
2-butoxy-N-phenyldodecanamide
CID 70626065
2-benzoyl-N-phenylheptanamide
CID 87965233
3-pentyl-N-phenylnonanamide
CID 155185761
1,1-diphenyltetradecan-3-ol
CID 102298194
1-anilinoheptacosan-13-ol
CID 151401190
2-(octylamino)-N-phenylpropanamide
CID 78914372
1-anilinoheptan-2-ol
CID 114998464
4-amino-N-phenyldodecanamide
CID 154099763
1-nitroso-1-phenyldecan-3-ol
CID 56975349
N-hydroxy-2-pentyl-N'-phenyloctanediamide
CID 134143927
1-anilinohexadecan-1-ol
CID 173133122

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-phenyldodecanamide?
The IUPAC name of 2,4-dihydroxy-N-phenyldodecanamide (CID 91612582) is 2,4-dihydroxy-N-phenyldodecanamide.
What is the SMILES notation for 2,4-dihydroxy-N-phenyldodecanamide?
The canonical SMILES for 2,4-dihydroxy-N-phenyldodecanamide is CCCCCCCCC(O)CC(O)C(=O)Nc1ccccc1.
What is the InChIKey of 2,4-dihydroxy-N-phenyldodecanamide?
The InChIKey is CBNGGBREIMZVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-2-3-4-5-6-10-13-16(20)14-17(21)18(22)19-15-11-8-7-9-12-15/h7-9,11-12,16-17,20-21H,2-6,10,13-14H2,1H3,(H,19,22).
What are the key properties of 2,4-dihydroxy-N-phenyldodecanamide?
2,4-dihydroxy-N-phenyldodecanamide has a molecular weight of 307.43 g/mol, XLogP of 3.49, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-phenyldodecanamide is sourced from PubChem (CID 91612582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).