4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide

C19H23NO3 — CID 42942710

IUPAC4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCOC(C)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-15(16-7-4-3-5-8-16)23-14-6-13-20-19(21)17-9-11-18(22-2)12-10-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,20,21)
InChIKeyBOODCENDSDRHGO-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.59
Rot. Bonds8

About 4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide

4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide (PubChem CID 42942710) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
PubChem CID42942710
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCOC(C)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-15(16-7-4-3-5-8-16)23-14-6-13-20-19(21)17-9-11-18(22-2)12-10-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,20,21)
InChIKeyBOODCENDSDRHGO-UHFFFAOYSA-N
XLogP3.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.59
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

4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide
CID 55536116
4-(ethylsulfanylmethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55898740
4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
CID 43048234
3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 46421326
4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 24658372
4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 4825822
2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
N-(2-chloro-2-phenylethyl)-4-methoxybenzamide
CID 114296068
2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide
CID 24678092
4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide
CID 55920471

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide (CID 42942710) is 4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide is COc1ccc(C(=O)NCCCOC(C)c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide?
The InChIKey is BOODCENDSDRHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-15(16-7-4-3-5-8-16)23-14-6-13-20-19(21)17-9-11-18(22-2)12-10-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,20,21).
What are the key properties of 4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide?
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide has a molecular weight of 313.40 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide is sourced from PubChem (CID 42942710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).