3-methyl-N,N-di(undecyl)benzamide

C30H53NO — CID 533252

IUPAC3-methyl-N,N-di(undecyl)benzamide
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)C(=O)c1cccc(C)c1
InChIInChI=1S/C30H53NO/c1-4-6-8-10-12-14-16-18-20-25-31(30(32)29-24-22-23-28(3)27-29)26-21-19-17-15-13-11-9-7-5-2/h22-24,27H,4-21,25-26H2,1-3H3
InChIKeyBDURDOGEQOVNTN-UHFFFAOYSA-N
MW443.76 g/mol
LogP9.50
Rot. Bonds21

About 3-methyl-N,N-di(undecyl)benzamide

3-methyl-N,N-di(undecyl)benzamide (PubChem CID 533252) has the molecular formula C30H53NO and a molecular weight of 443.76 g/mol. Its IUPAC name is 3-methyl-N,N-di(undecyl)benzamide.

Molecular Properties

Compound Name3-methyl-N,N-di(undecyl)benzamide
PubChem CID533252
Molecular FormulaC30H53NO
Molecular Weight443.76 g/mol
Exact Mass443.41
IUPAC Name3-methyl-N,N-di(undecyl)benzamide
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)C(=O)c1cccc(C)c1
InChIInChI=1S/C30H53NO/c1-4-6-8-10-12-14-16-18-20-25-31(30(32)29-24-22-23-28(3)27-29)26-21-19-17-15-13-11-9-7-5-2/h22-24,27H,4-21,25-26H2,1-3H3
InChIKeyBDURDOGEQOVNTN-UHFFFAOYSA-N
XLogP9.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.76
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-N,3-N-didodecylbenzene-1,3-dicarboxamide
CID 70541618
3-fluoro-N,N-di(nonyl)benzamide
CID 533098
3-amino-N,N-didecylbenzamide
CID 19389018
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
N,N-bis(2-cyanoethyl)-3-methylbenzamide
CID 2204619
N-decyl-N-ethyl-3-(trifluoromethyl)benzamide
CID 91726464
3-(aminomethyl)-N,N-dibutylbenzamide
CID 28982335
2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
CID 4094249
N-butyl-3,5-dimethyl-N-propylbenzamide
CID 142843547
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide
CID 18734004
undecyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710673

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,N-di(undecyl)benzamide?
The IUPAC name of 3-methyl-N,N-di(undecyl)benzamide (CID 533252) is 3-methyl-N,N-di(undecyl)benzamide.
What is the SMILES notation for 3-methyl-N,N-di(undecyl)benzamide?
The canonical SMILES for 3-methyl-N,N-di(undecyl)benzamide is CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)c1cccc(C)c1.
What is the InChIKey of 3-methyl-N,N-di(undecyl)benzamide?
The InChIKey is BDURDOGEQOVNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H53NO/c1-4-6-8-10-12-14-16-18-20-25-31(30(32)29-24-22-23-28(3)27-29)26-21-19-17-15-13-11-9-7-5-2/h22-24,27H,4-21,25-26H2,1-3H3.
What are the key properties of 3-methyl-N,N-di(undecyl)benzamide?
3-methyl-N,N-di(undecyl)benzamide has a molecular weight of 443.76 g/mol, XLogP of 9.50, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,N-di(undecyl)benzamide is sourced from PubChem (CID 533252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).