3-(12-amino-12-oxododecyl)benzamide

C19H30N2O2 — CID 19832819

IUPAC3-(12-amino-12-oxododecyl)benzamide
SMILESNC(=O)CCCCCCCCCCCc1cccc(C(N)=O)c1
InChIInChI=1S/C19H30N2O2/c20-18(22)14-9-7-5-3-1-2-4-6-8-11-16-12-10-13-17(15-16)19(21)23/h10,12-13,15H,1-9,11,14H2,(H2,20,22)(H2,21,23)
InChIKeyFGMPMEORMAJLMB-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.71
Rot. Bonds13

About 3-(12-amino-12-oxododecyl)benzamide

3-(12-amino-12-oxododecyl)benzamide (PubChem CID 19832819) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-(12-amino-12-oxododecyl)benzamide.

Molecular Properties

Compound Name3-(12-amino-12-oxododecyl)benzamide
PubChem CID19832819
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-(12-amino-12-oxododecyl)benzamide
SMILESNC(=O)CCCCCCCCCCCc1cccc(C(N)=O)c1
InChIInChI=1S/C19H30N2O2/c20-18(22)14-9-7-5-3-1-2-4-6-8-11-16-12-10-13-17(15-16)19(21)23/h10,12-13,15H,1-9,11,14H2,(H2,20,22)(H2,21,23)
InChIKeyFGMPMEORMAJLMB-UHFFFAOYSA-N
XLogP3.71
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

28-[3-(28-amino-28-oxooctacosyl)phenyl]octacosanamide
CID 139913046
6-(3-aminophenyl)hexanamide
CID 121009137
3-(5-methoxy-4-oxopentyl)benzamide
CID 158062686
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
3-[3-(hydroxyamino)-3-oxopropyl]benzamide
CID 141465309
3-[3-(diethylamino)propyl]benzamide
CID 175291972
methane;3-(3-oxopropyl)benzamide
CID 178062718
3-(sulfanylmethyl)benzamide
CID 118350806
benzene-1,3-dicarboxamide;hexanedioic acid
CID 175137558
3-[(carbamoylamino)methyl]benzamide
CID 166184789
7-[3-(2-chloroethylcarbamoylamino)phenyl]heptanamide
CID 142971425
3-benzylbenzamide;hydrochloride
CID 159409318

Frequently Asked Questions

What is the IUPAC name of 3-(12-amino-12-oxododecyl)benzamide?
The IUPAC name of 3-(12-amino-12-oxododecyl)benzamide (CID 19832819) is 3-(12-amino-12-oxododecyl)benzamide.
What is the SMILES notation for 3-(12-amino-12-oxododecyl)benzamide?
The canonical SMILES for 3-(12-amino-12-oxododecyl)benzamide is NC(=O)CCCCCCCCCCCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(12-amino-12-oxododecyl)benzamide?
The InChIKey is FGMPMEORMAJLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c20-18(22)14-9-7-5-3-1-2-4-6-8-11-16-12-10-13-17(15-16)19(21)23/h10,12-13,15H,1-9,11,14H2,(H2,20,22)(H2,21,23).
What are the key properties of 3-(12-amino-12-oxododecyl)benzamide?
3-(12-amino-12-oxododecyl)benzamide has a molecular weight of 318.46 g/mol, XLogP of 3.71, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(12-amino-12-oxododecyl)benzamide is sourced from PubChem (CID 19832819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).