N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide

C30H46N2O3 — CID 70436318

IUPACN-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide
SMILESCCCCCCCCCCCCCCCCOc1ccc(C(=O)Nc2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C30H46N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-35-27-20-17-25(18-21-27)30(33)32-26-19-22-29(34-2)28(31)24-26/h17-22,24H,3-16,23,31H2,1-2H3,(H,32,33)
InChIKeyZVZZGSYNXPDQLM-UHFFFAOYSA-N
MW482.71 g/mol
LogP8.39
Rot. Bonds19

About N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide

N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide (PubChem CID 70436318) has the molecular formula C30H46N2O3 and a molecular weight of 482.71 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide
PubChem CID70436318
Molecular FormulaC30H46N2O3
Molecular Weight482.71 g/mol
Exact Mass482.35
IUPAC NameN-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide
SMILESCCCCCCCCCCCCCCCCOc1ccc(C(=O)Nc2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C30H46N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-35-27-20-17-25(18-21-27)30(33)32-26-19-22-29(34-2)28(31)24-26/h17-22,24H,3-16,23,31H2,1-2H3,(H,32,33)
InChIKeyZVZZGSYNXPDQLM-UHFFFAOYSA-N
XLogP8.39
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.71
LogP ≤ 58.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide
CID 50878655
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
CID 119420223
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
N-(3-amino-4-ethoxyphenyl)-4-methoxybenzamide
CID 23464410
N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
CID 101044220
N-(3-amino-4-methoxyphenyl)-4-ethylbenzamide
CID 43599944
N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
CID 119420177
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide (CID 70436318) is N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide is CCCCCCCCCCCCCCCCOc1ccc(C(=O)Nc2ccc(OC)c(N)c2)cc1.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide?
The InChIKey is ZVZZGSYNXPDQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-35-27-20-17-25(18-21-27)30(33)32-26-19-22-29(34-2)28(31)24-26/h17-22,24H,3-16,23,31H2,1-2H3,(H,32,33).
What are the key properties of N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide?
N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide has a molecular weight of 482.71 g/mol, XLogP of 8.39, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide is sourced from PubChem (CID 70436318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).