3-amino-N,N-didecylbenzamide

C27H48N2O — CID 19389018

IUPAC3-amino-N,N-didecylbenzamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)c1cccc(N)c1
InChIInChI=1S/C27H48N2O/c1-3-5-7-9-11-13-15-17-22-29(23-18-16-14-12-10-8-6-4-2)27(30)25-20-19-21-26(28)24-25/h19-21,24H,3-18,22-23,28H2,1-2H3
InChIKeyVLTLMWUGMWHMOH-UHFFFAOYSA-N
MW416.69 g/mol
LogP7.99
Rot. Bonds19

About 3-amino-N,N-didecylbenzamide

3-amino-N,N-didecylbenzamide (PubChem CID 19389018) has the molecular formula C27H48N2O and a molecular weight of 416.69 g/mol. Its IUPAC name is 3-amino-N,N-didecylbenzamide.

Molecular Properties

Compound Name3-amino-N,N-didecylbenzamide
PubChem CID19389018
Molecular FormulaC27H48N2O
Molecular Weight416.69 g/mol
Exact Mass416.38
IUPAC Name3-amino-N,N-didecylbenzamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)c1cccc(N)c1
InChIInChI=1S/C27H48N2O/c1-3-5-7-9-11-13-15-17-22-29(23-18-16-14-12-10-8-6-4-2)27(30)25-20-19-21-26(28)24-25/h19-21,24H,3-18,22-23,28H2,1-2H3
InChIKeyVLTLMWUGMWHMOH-UHFFFAOYSA-N
XLogP7.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.69
LogP ≤ 57.99
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

3-N,3-N-didodecylbenzene-1,3-dicarboxamide
CID 70541618
3-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide
CID 54906297
3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide
CID 11404016
3-methyl-N,N-di(undecyl)benzamide
CID 533252
3-fluoro-N,N-di(nonyl)benzamide
CID 533098
4-amino-N,N-didodecylbenzamide
CID 5077826
3-amino-N,N-bis(3-methylbutyl)benzamide
CID 60939254
1-(3-aminophenyl)undecan-1-one
CID 116548557
3-amino-N-methyl-N-propylbenzamide
CID 43270761
1-(3-aminophenyl)decan-1-one
CID 116548502
3-(aminomethyl)-N,N-dibutylbenzamide
CID 28982335
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-didecylbenzamide?
The IUPAC name of 3-amino-N,N-didecylbenzamide (CID 19389018) is 3-amino-N,N-didecylbenzamide.
What is the SMILES notation for 3-amino-N,N-didecylbenzamide?
The canonical SMILES for 3-amino-N,N-didecylbenzamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N,N-didecylbenzamide?
The InChIKey is VLTLMWUGMWHMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2O/c1-3-5-7-9-11-13-15-17-22-29(23-18-16-14-12-10-8-6-4-2)27(30)25-20-19-21-26(28)24-25/h19-21,24H,3-18,22-23,28H2,1-2H3.
What are the key properties of 3-amino-N,N-didecylbenzamide?
3-amino-N,N-didecylbenzamide has a molecular weight of 416.69 g/mol, XLogP of 7.99, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-didecylbenzamide is sourced from PubChem (CID 19389018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).