N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide

C24H33NO3 — CID 4951578

IUPACN-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
SMILESCCCCCCCOc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C24H33NO3/c1-4-5-6-7-8-17-27-22-15-11-21(12-16-22)25-24(26)20-9-13-23(14-10-20)28-18-19(2)3/h9-16,19H,4-8,17-18H2,1-3H3,(H,25,26)
InChIKeyZIYHRSWQBHSSEA-UHFFFAOYSA-N
MW383.53 g/mol
LogP6.32
Rot. Bonds12

About N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide

N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide (PubChem CID 4951578) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
PubChem CID4951578
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC NameN-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
SMILESCCCCCCCOc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C24H33NO3/c1-4-5-6-7-8-17-27-22-15-11-21(12-16-22)25-24(26)20-9-13-23(14-10-20)28-18-19(2)3/h9-16,19H,4-8,17-18H2,1-3H3,(H,25,26)
InChIKeyZIYHRSWQBHSSEA-UHFFFAOYSA-N
XLogP6.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide
CID 4935435
3-bromo-N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17351718
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide
CID 13388918
3-methylbutyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170770
N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
CID 17202512
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775

Frequently Asked Questions

What is the IUPAC name of N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide (CID 4951578) is N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide is CCCCCCCOc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide?
The InChIKey is ZIYHRSWQBHSSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-4-5-6-7-8-17-27-22-15-11-21(12-16-22)25-24(26)20-9-13-23(14-10-20)28-18-19(2)3/h9-16,19H,4-8,17-18H2,1-3H3,(H,25,26).
What are the key properties of N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide?
N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide has a molecular weight of 383.53 g/mol, XLogP of 6.32, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4951578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).