N-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide

C28H42N2O2 — CID 54404494

IUPACN-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide
SMILESCCCCCCCCCCCCOc1ccccc1C(=O)Nc1ccccc1CCCN
InChIInChI=1S/C28H42N2O2/c1-2-3-4-5-6-7-8-9-10-15-23-32-27-21-14-12-19-25(27)28(31)30-26-20-13-11-17-24(26)18-16-22-29/h11-14,17,19-21H,2-10,15-16,18,22-23,29H2,1H3,(H,30,31)
InChIKeyVPSCCXUHMDIXKC-UHFFFAOYSA-N
MW438.66 g/mol
LogP7.13
Rot. Bonds17

About N-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide

N-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide (PubChem CID 54404494) has the molecular formula C28H42N2O2 and a molecular weight of 438.66 g/mol. Its IUPAC name is N-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide
PubChem CID54404494
Molecular FormulaC28H42N2O2
Molecular Weight438.66 g/mol
Exact Mass438.32
IUPAC NameN-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide
SMILESCCCCCCCCCCCCOc1ccccc1C(=O)Nc1ccccc1CCCN
InChIInChI=1S/C28H42N2O2/c1-2-3-4-5-6-7-8-9-10-15-23-32-27-21-14-12-19-25(27)28(31)30-26-20-13-11-17-24(26)18-16-22-29/h11-14,17,19-21H,2-10,15-16,18,22-23,29H2,1H3,(H,30,31)
InChIKeyVPSCCXUHMDIXKC-UHFFFAOYSA-N
XLogP7.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-pentoxybenzoyl)amino]benzamide
CID 4946529
2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131458
N-methyl-2-[(2-pentoxybenzoyl)amino]benzamide
CID 17354032
N-(6-aminohexyl)-2-dodecoxybenzamide
CID 10319064
N-(2-aminoethyl)-2-hexoxybenzamide
CID 90319052
N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide
CID 173343728
2-tetradecoxy-N-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]benzamide bromide
CID 67787476
2-pentoxybenzohydrazide
CID 54793215
2-hydroxy-N-(2-pentylphenyl)benzamide
CID 90027377
N-hydroxy-2-tetradecoxybenzamide
CID 18962633
N-(2,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946491
2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide?
The IUPAC name of N-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide (CID 54404494) is N-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide.
What is the SMILES notation for N-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide?
The canonical SMILES for N-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide is CCCCCCCCCCCCOc1ccccc1C(=O)Nc1ccccc1CCCN.
What is the InChIKey of N-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide?
The InChIKey is VPSCCXUHMDIXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O2/c1-2-3-4-5-6-7-8-9-10-15-23-32-27-21-14-12-19-25(27)28(31)30-26-20-13-11-17-24(26)18-16-22-29/h11-14,17,19-21H,2-10,15-16,18,22-23,29H2,1H3,(H,30,31).
What are the key properties of N-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide?
N-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide has a molecular weight of 438.66 g/mol, XLogP of 7.13, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide is sourced from PubChem (CID 54404494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).