4-(aminomethyl)-N-dodecylbenzamide

C20H34N2O — CID 67188292

IUPAC4-(aminomethyl)-N-dodecylbenzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C20H34N2O/c1-2-3-4-5-6-7-8-9-10-11-16-22-20(23)19-14-12-18(17-21)13-15-19/h12-15H,2-11,16-17,21H2,1H3,(H,22,23)
InChIKeyFBVKAMLEAOPBNC-UHFFFAOYSA-N
MW318.50 g/mol
LogP4.80
Rot. Bonds13

About 4-(aminomethyl)-N-dodecylbenzamide

4-(aminomethyl)-N-dodecylbenzamide (PubChem CID 67188292) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is 4-(aminomethyl)-N-dodecylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-dodecylbenzamide
PubChem CID67188292
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC Name4-(aminomethyl)-N-dodecylbenzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C20H34N2O/c1-2-3-4-5-6-7-8-9-10-11-16-22-20(23)19-14-12-18(17-21)13-15-19/h12-15H,2-11,16-17,21H2,1H3,(H,22,23)
InChIKeyFBVKAMLEAOPBNC-UHFFFAOYSA-N
XLogP4.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 54.80
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

4-(chloromethyl)-N-hexylbenzamide
CID 43168029
N-hexyl-4-propylbenzamide
CID 70894310
N-pentyl-4-propylbenzamide
CID 70894308
N-decyl-4-hydroxybenzamide
CID 15277871
CID 131885807
CID 131885807
4-(hydroperoxymethyl)-N-octadecylbenzamide
CID 54494073
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-decyl-4-sulfanylbenzamide
CID 107032455
4-bromo-N-hexadecylbenzamide
CID 54791037
4-(aminomethyl)-N-[3-(ethylsulfonylamino)propyl]benzamide
CID 119311626
N-hexyl-4-[(propan-2-ylamino)methyl]benzamide
CID 171639539
methyl 4-(hexadecylcarbamoyl)benzoate
CID 17178172

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-dodecylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-dodecylbenzamide (CID 67188292) is 4-(aminomethyl)-N-dodecylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-dodecylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-dodecylbenzamide is CCCCCCCCCCCCNC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-dodecylbenzamide?
The InChIKey is FBVKAMLEAOPBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-2-3-4-5-6-7-8-9-10-11-16-22-20(23)19-14-12-18(17-21)13-15-19/h12-15H,2-11,16-17,21H2,1H3,(H,22,23).
What are the key properties of 4-(aminomethyl)-N-dodecylbenzamide?
4-(aminomethyl)-N-dodecylbenzamide has a molecular weight of 318.50 g/mol, XLogP of 4.80, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-dodecylbenzamide is sourced from PubChem (CID 67188292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).