N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]-2-(methylamino)-4-phenylbenzamide

C27H33N3O3 — CID 71206238

IUPACN-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]-2-(methylamino)-4-phenylbenzamide
SMILESCCCN(C)CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2NC)cc1OC
InChIInChI=1S/C27H33N3O3/c1-5-15-30(3)16-17-33-25-14-12-22(19-26(25)32-4)29-27(31)23-13-11-21(18-24(23)28-2)20-9-7-6-8-10-20/h6-14,18-19,28H,5,15-17H2,1-4H3,(H,29,31)
InChIKeyXXTLIUHZYWOSKY-UHFFFAOYSA-N
MW447.58 g/mol
LogP5.38
Rot. Bonds11

About N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]-2-(methylamino)-4-phenylbenzamide

N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]-2-(methylamino)-4-phenylbenzamide (PubChem CID 71206238) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]-2-(methylamino)-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]-2-(methylamino)-4-phenylbenzamide
PubChem CID71206238
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]-2-(methylamino)-4-phenylbenzamide
SMILESCCCN(C)CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2NC)cc1OC
InChIInChI=1S/C27H33N3O3/c1-5-15-30(3)16-17-33-25-14-12-22(19-26(25)32-4)29-27(31)23-13-11-21(18-24(23)28-2)20-9-7-6-8-10-20/h6-14,18-19,28H,5,15-17H2,1-4H3,(H,29,31)
InChIKeyXXTLIUHZYWOSKY-UHFFFAOYSA-N
XLogP5.38
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
5-(4-chlorophenyl)-N-[3-methoxy-4-[2-(N-methylanilino)ethoxy]phenyl]-3-(methylamino)thiophene-2-carboxamide
CID 71162618
3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide
CID 68954689
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 139912017
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide
CID 107622226
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide
CID 18672596
2-chloro-4-(3-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide
CID 142006320
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide
CID 18672595
N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295
N-(4-ethoxy-3-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 9100487

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]-2-(methylamino)-4-phenylbenzamide?
The IUPAC name of N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]-2-(methylamino)-4-phenylbenzamide (CID 71206238) is N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]-2-(methylamino)-4-phenylbenzamide.
What is the SMILES notation for N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]-2-(methylamino)-4-phenylbenzamide?
The canonical SMILES for N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]-2-(methylamino)-4-phenylbenzamide is CCCN(C)CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2NC)cc1OC.
What is the InChIKey of N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]-2-(methylamino)-4-phenylbenzamide?
The InChIKey is XXTLIUHZYWOSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-5-15-30(3)16-17-33-25-14-12-22(19-26(25)32-4)29-27(31)23-13-11-21(18-24(23)28-2)20-9-7-6-8-10-20/h6-14,18-19,28H,5,15-17H2,1-4H3,(H,29,31).
What are the key properties of N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]-2-(methylamino)-4-phenylbenzamide?
N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]-2-(methylamino)-4-phenylbenzamide has a molecular weight of 447.58 g/mol, XLogP of 5.38, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]-2-(methylamino)-4-phenylbenzamide is sourced from PubChem (CID 71206238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).