2-amino-N-dodecylbenzamide

C19H32N2O — CID 54099396

IUPAC2-amino-N-dodecylbenzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccccc1N
InChIInChI=1S/C19H32N2O/c1-2-3-4-5-6-7-8-9-10-13-16-21-19(22)17-14-11-12-15-18(17)20/h11-12,14-15H,2-10,13,16,20H2,1H3,(H,21,22)
InChIKeyMZMCAINHIIMJRK-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.92
Rot. Bonds12

About 2-amino-N-dodecylbenzamide

2-amino-N-dodecylbenzamide (PubChem CID 54099396) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-amino-N-dodecylbenzamide.

Molecular Properties

Compound Name2-amino-N-dodecylbenzamide
PubChem CID54099396
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name2-amino-N-dodecylbenzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccccc1N
InChIInChI=1S/C19H32N2O/c1-2-3-4-5-6-7-8-9-10-13-16-21-19(22)17-14-11-12-15-18(17)20/h11-12,14-15H,2-10,13,16,20H2,1H3,(H,21,22)
InChIKeyMZMCAINHIIMJRK-UHFFFAOYSA-N
XLogP4.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.92
H-Bond Donors ≤ 52
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

2,3-diamino-N-hexadecylbenzamide
CID 68850287
N-hexyl-2-methylbenzamide
CID 3017102
2-chloro-N-undecylbenzamide
CID 3373978
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
2,4-diamino-N-hexylbenzamide
CID 61111728
2-(hydroxymethyl)-N-tetradecylbenzamide
CID 23299401
N-dodecylnaphthalene-1-carboxamide
CID 4278758
2-(pentylcarbamoyl)benzoate
CID 7429981
2-ethylsulfonyl-N-heptylbenzamide
CID 46779028
2-amino-N-(4-hydroxypentyl)benzamide
CID 106118828
2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride
CID 119944236

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-dodecylbenzamide?
The IUPAC name of 2-amino-N-dodecylbenzamide (CID 54099396) is 2-amino-N-dodecylbenzamide.
What is the SMILES notation for 2-amino-N-dodecylbenzamide?
The canonical SMILES for 2-amino-N-dodecylbenzamide is CCCCCCCCCCCCNC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-dodecylbenzamide?
The InChIKey is MZMCAINHIIMJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-2-3-4-5-6-7-8-9-10-13-16-21-19(22)17-14-11-12-15-18(17)20/h11-12,14-15H,2-10,13,16,20H2,1H3,(H,21,22).
What are the key properties of 2-amino-N-dodecylbenzamide?
2-amino-N-dodecylbenzamide has a molecular weight of 304.48 g/mol, XLogP of 4.92, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-dodecylbenzamide is sourced from PubChem (CID 54099396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).