4-heptoxy-N-(1-phenylpropyl)benzamide

C23H31NO2 — CID 43911534

IUPAC4-heptoxy-N-(1-phenylpropyl)benzamide
SMILESCCCCCCCOc1ccc(C(=O)NC(CC)c2ccccc2)cc1
InChIInChI=1S/C23H31NO2/c1-3-5-6-7-11-18-26-21-16-14-20(15-17-21)23(25)24-22(4-2)19-12-9-8-10-13-19/h8-10,12-17,22H,3-7,11,18H2,1-2H3,(H,24,25)
InChIKeyRNHHITJKJUJNHM-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.92
Rot. Bonds11

About 4-heptoxy-N-(1-phenylpropyl)benzamide

4-heptoxy-N-(1-phenylpropyl)benzamide (PubChem CID 43911534) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-heptoxy-N-(1-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-heptoxy-N-(1-phenylpropyl)benzamide
PubChem CID43911534
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name4-heptoxy-N-(1-phenylpropyl)benzamide
SMILESCCCCCCCOc1ccc(C(=O)NC(CC)c2ccccc2)cc1
InChIInChI=1S/C23H31NO2/c1-3-5-6-7-11-18-26-21-16-14-20(15-17-21)23(25)24-22(4-2)19-12-9-8-10-13-19/h8-10,12-17,22H,3-7,11,18H2,1-2H3,(H,24,25)
InChIKeyRNHHITJKJUJNHM-UHFFFAOYSA-N
XLogP5.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
CID 28632520
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
4-heptoxy-N-methylbenzamide
CID 3291691
(3S)-3-benzamido-3-(4-propoxyphenyl)propanoic acid
CID 7044624
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
[4-[hydroxy(phenyl)methyl]phenyl]-(4-octoxyphenyl)methanone
CID 57009230
1-phenylpropyl 4-pentoxybenzoate
CID 54114898
4-butoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 2265354
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
1,5-bis(4-pentoxyphenyl)-3-phenylpentane-1,5-dione
CID 3785979

Frequently Asked Questions

What is the IUPAC name of 4-heptoxy-N-(1-phenylpropyl)benzamide?
The IUPAC name of 4-heptoxy-N-(1-phenylpropyl)benzamide (CID 43911534) is 4-heptoxy-N-(1-phenylpropyl)benzamide.
What is the SMILES notation for 4-heptoxy-N-(1-phenylpropyl)benzamide?
The canonical SMILES for 4-heptoxy-N-(1-phenylpropyl)benzamide is CCCCCCCOc1ccc(C(=O)NC(CC)c2ccccc2)cc1.
What is the InChIKey of 4-heptoxy-N-(1-phenylpropyl)benzamide?
The InChIKey is RNHHITJKJUJNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-3-5-6-7-11-18-26-21-16-14-20(15-17-21)23(25)24-22(4-2)19-12-9-8-10-13-19/h8-10,12-17,22H,3-7,11,18H2,1-2H3,(H,24,25).
What are the key properties of 4-heptoxy-N-(1-phenylpropyl)benzamide?
4-heptoxy-N-(1-phenylpropyl)benzamide has a molecular weight of 353.51 g/mol, XLogP of 5.92, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptoxy-N-(1-phenylpropyl)benzamide is sourced from PubChem (CID 43911534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).