4-methoxy-N-[3-[2-[1-phenylethyl(propyl)amino]propyl]phenyl]benzamide

C28H34N2O2 — CID 18353135

IUPAC4-methoxy-N-[3-[2-[1-phenylethyl(propyl)amino]propyl]phenyl]benzamide
SMILESCCCN(C(C)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)C(C)c1ccccc1
InChIInChI=1S/C28H34N2O2/c1-5-18-30(22(3)24-11-7-6-8-12-24)21(2)19-23-10-9-13-26(20-23)29-28(31)25-14-16-27(32-4)17-15-25/h6-17,20-22H,5,18-19H2,1-4H3,(H,29,31)
InChIKeyVDYXSGARTADIQY-UHFFFAOYSA-N
MW430.59 g/mol
LogP6.35
Rot. Bonds10

About 4-methoxy-N-[3-[2-[1-phenylethyl(propyl)amino]propyl]phenyl]benzamide

4-methoxy-N-[3-[2-[1-phenylethyl(propyl)amino]propyl]phenyl]benzamide (PubChem CID 18353135) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is 4-methoxy-N-[3-[2-[1-phenylethyl(propyl)amino]propyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[2-[1-phenylethyl(propyl)amino]propyl]phenyl]benzamide
PubChem CID18353135
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name4-methoxy-N-[3-[2-[1-phenylethyl(propyl)amino]propyl]phenyl]benzamide
SMILESCCCN(C(C)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)C(C)c1ccccc1
InChIInChI=1S/C28H34N2O2/c1-5-18-30(22(3)24-11-7-6-8-12-24)21(2)19-23-10-9-13-26(20-23)29-28(31)25-14-16-27(32-4)17-15-25/h6-17,20-22H,5,18-19H2,1-4H3,(H,29,31)
InChIKeyVDYXSGARTADIQY-UHFFFAOYSA-N
XLogP6.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 26162261
2-[[[3-[(4-methoxybenzoyl)amino]phenyl]methylamino]methyl]-4-methylpentanoic acid
CID 122072946
N-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide
CID 111449202
N-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide
CID 111448623
1-N-(3-methoxyphenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049073
N-[3-[1-[4-(4-methoxyphenoxy)butanoyl-methylamino]ethyl]phenyl]benzamide
CID 46533483
N-[4-(dimethylamino)-3-[[2,2-dimethylpropanoyl-[(1R)-1-phenylethyl]amino]methyl]phenyl]-4-methoxybenzamide
CID 93019418
4-[[2-(1,2-diphenylethylamino)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 16561654
N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 51727122
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841380
4-methoxy-N-[3-[2-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-pentylamino]propyl]phenyl]benzamide
CID 18352959

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[2-[1-phenylethyl(propyl)amino]propyl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-[2-[1-phenylethyl(propyl)amino]propyl]phenyl]benzamide (CID 18353135) is 4-methoxy-N-[3-[2-[1-phenylethyl(propyl)amino]propyl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-[2-[1-phenylethyl(propyl)amino]propyl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-[2-[1-phenylethyl(propyl)amino]propyl]phenyl]benzamide is CCCN(C(C)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)C(C)c1ccccc1.
What is the InChIKey of 4-methoxy-N-[3-[2-[1-phenylethyl(propyl)amino]propyl]phenyl]benzamide?
The InChIKey is VDYXSGARTADIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-5-18-30(22(3)24-11-7-6-8-12-24)21(2)19-23-10-9-13-26(20-23)29-28(31)25-14-16-27(32-4)17-15-25/h6-17,20-22H,5,18-19H2,1-4H3,(H,29,31).
What are the key properties of 4-methoxy-N-[3-[2-[1-phenylethyl(propyl)amino]propyl]phenyl]benzamide?
4-methoxy-N-[3-[2-[1-phenylethyl(propyl)amino]propyl]phenyl]benzamide has a molecular weight of 430.59 g/mol, XLogP of 6.35, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[2-[1-phenylethyl(propyl)amino]propyl]phenyl]benzamide is sourced from PubChem (CID 18353135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).