4-amino-N,N-didodecylbenzamide

C31H56N2O — CID 5077826

IUPAC4-amino-N,N-didodecylbenzamide
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)c1ccc(N)cc1
InChIInChI=1S/C31H56N2O/c1-3-5-7-9-11-13-15-17-19-21-27-33(31(34)29-23-25-30(32)26-24-29)28-22-20-18-16-14-12-10-8-6-4-2/h23-26H,3-22,27-28,32H2,1-2H3
InChIKeyABHLZUDCYHRBDH-UHFFFAOYSA-N
MW472.80 g/mol
LogP9.55
Rot. Bonds23

About 4-amino-N,N-didodecylbenzamide

4-amino-N,N-didodecylbenzamide (PubChem CID 5077826) has the molecular formula C31H56N2O and a molecular weight of 472.80 g/mol. Its IUPAC name is 4-amino-N,N-didodecylbenzamide.

Molecular Properties

Compound Name4-amino-N,N-didodecylbenzamide
PubChem CID5077826
Molecular FormulaC31H56N2O
Molecular Weight472.80 g/mol
Exact Mass472.44
IUPAC Name4-amino-N,N-didodecylbenzamide
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)c1ccc(N)cc1
InChIInChI=1S/C31H56N2O/c1-3-5-7-9-11-13-15-17-19-21-27-33(31(34)29-23-25-30(32)26-24-29)28-22-20-18-16-14-12-10-8-6-4-2/h23-26H,3-22,27-28,32H2,1-2H3
InChIKeyABHLZUDCYHRBDH-UHFFFAOYSA-N
XLogP9.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.80
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 127119640
4-ethyl-N,N-dihexylbenzamide
CID 533235
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CID 91714679
3-amino-N,N-didecylbenzamide
CID 19389018
4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride
CID 119733438
4-bromo-N,N-dipentylbenzamide
CID 4599077
4-formyl-N-hexyl-N-pentylbenzamide
CID 59994993
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54906063
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
4-(dioctadecylcarbamoyl)benzenesulfonic acid
CID 126642687
N,N-didecyl-4-(trifluoromethyl)benzamide
CID 532962
4-amino-N-pentyl-N-propan-2-ylbenzamide
CID 54905871

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-didodecylbenzamide?
The IUPAC name of 4-amino-N,N-didodecylbenzamide (CID 5077826) is 4-amino-N,N-didodecylbenzamide.
What is the SMILES notation for 4-amino-N,N-didodecylbenzamide?
The canonical SMILES for 4-amino-N,N-didodecylbenzamide is CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N,N-didodecylbenzamide?
The InChIKey is ABHLZUDCYHRBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H56N2O/c1-3-5-7-9-11-13-15-17-19-21-27-33(31(34)29-23-25-30(32)26-24-29)28-22-20-18-16-14-12-10-8-6-4-2/h23-26H,3-22,27-28,32H2,1-2H3.
What are the key properties of 4-amino-N,N-didodecylbenzamide?
4-amino-N,N-didodecylbenzamide has a molecular weight of 472.80 g/mol, XLogP of 9.55, 23 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-didodecylbenzamide is sourced from PubChem (CID 5077826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).