4-amino-N-[4-(2-aminopropan-2-yl)tetradecyl]benzamide

C24H43N3O — CID 20976511

IUPAC4-amino-N-[4-(2-aminopropan-2-yl)tetradecyl]benzamide
SMILESCCCCCCCCCCC(CCCNC(=O)c1ccc(N)cc1)C(C)(C)N
InChIInChI=1S/C24H43N3O/c1-4-5-6-7-8-9-10-11-13-21(24(2,3)26)14-12-19-27-23(28)20-15-17-22(25)18-16-20/h15-18,21H,4-14,19,25-26H2,1-3H3,(H,27,28)
InChIKeySVXFYIKLTCPATM-UHFFFAOYSA-N
MW389.63 g/mol
LogP5.66
Rot. Bonds15

About 4-amino-N-[4-(2-aminopropan-2-yl)tetradecyl]benzamide

4-amino-N-[4-(2-aminopropan-2-yl)tetradecyl]benzamide (PubChem CID 20976511) has the molecular formula C24H43N3O and a molecular weight of 389.63 g/mol. Its IUPAC name is 4-amino-N-[4-(2-aminopropan-2-yl)tetradecyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-(2-aminopropan-2-yl)tetradecyl]benzamide
PubChem CID20976511
Molecular FormulaC24H43N3O
Molecular Weight389.63 g/mol
Exact Mass389.34
IUPAC Name4-amino-N-[4-(2-aminopropan-2-yl)tetradecyl]benzamide
SMILESCCCCCCCCCCC(CCCNC(=O)c1ccc(N)cc1)C(C)(C)N
InChIInChI=1S/C24H43N3O/c1-4-5-6-7-8-9-10-11-13-21(24(2,3)26)14-12-19-27-23(28)20-15-17-22(25)18-16-20/h15-18,21H,4-14,19,25-26H2,1-3H3,(H,27,28)
InChIKeySVXFYIKLTCPATM-UHFFFAOYSA-N
XLogP5.66
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.63
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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1-[3-(2-aminopropan-2-yl)tridecyl]-3-ethylurea;hydrobromide
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N-decyl-4-sulfanylbenzamide
CID 107032455
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4-bromo-N-hexadecylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(2-aminopropan-2-yl)tetradecyl]benzamide?
The IUPAC name of 4-amino-N-[4-(2-aminopropan-2-yl)tetradecyl]benzamide (CID 20976511) is 4-amino-N-[4-(2-aminopropan-2-yl)tetradecyl]benzamide.
What is the SMILES notation for 4-amino-N-[4-(2-aminopropan-2-yl)tetradecyl]benzamide?
The canonical SMILES for 4-amino-N-[4-(2-aminopropan-2-yl)tetradecyl]benzamide is CCCCCCCCCCC(CCCNC(=O)c1ccc(N)cc1)C(C)(C)N.
What is the InChIKey of 4-amino-N-[4-(2-aminopropan-2-yl)tetradecyl]benzamide?
The InChIKey is SVXFYIKLTCPATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N3O/c1-4-5-6-7-8-9-10-11-13-21(24(2,3)26)14-12-19-27-23(28)20-15-17-22(25)18-16-20/h15-18,21H,4-14,19,25-26H2,1-3H3,(H,27,28).
What are the key properties of 4-amino-N-[4-(2-aminopropan-2-yl)tetradecyl]benzamide?
4-amino-N-[4-(2-aminopropan-2-yl)tetradecyl]benzamide has a molecular weight of 389.63 g/mol, XLogP of 5.66, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(2-aminopropan-2-yl)tetradecyl]benzamide is sourced from PubChem (CID 20976511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).