N-[3-[2-(2-ethyl-4-pyridinyl)acetyl]-4-methoxyphenyl]-4-phenylbenzamide

C29H26N2O3 — CID 158094058

IUPACN-[3-[2-(2-ethyl-4-pyridinyl)acetyl]-4-methoxyphenyl]-4-phenylbenzamide
SMILESCCc1cc(CC(=O)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2OC)ccn1
InChIInChI=1S/C29H26N2O3/c1-3-24-17-20(15-16-30-24)18-27(32)26-19-25(13-14-28(26)34-2)31-29(33)23-11-9-22(10-12-23)21-7-5-4-6-8-21/h4-17,19H,3,18H2,1-2H3,(H,31,33)
InChIKeyFOLNNDPHPKNAKF-UHFFFAOYSA-N
MW450.54 g/mol
LogP6.00
Rot. Bonds8

About N-[3-[2-(2-ethyl-4-pyridinyl)acetyl]-4-methoxyphenyl]-4-phenylbenzamide

N-[3-[2-(2-ethyl-4-pyridinyl)acetyl]-4-methoxyphenyl]-4-phenylbenzamide (PubChem CID 158094058) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[3-[2-(2-ethyl-4-pyridinyl)acetyl]-4-methoxyphenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(2-ethyl-4-pyridinyl)acetyl]-4-methoxyphenyl]-4-phenylbenzamide
PubChem CID158094058
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC NameN-[3-[2-(2-ethyl-4-pyridinyl)acetyl]-4-methoxyphenyl]-4-phenylbenzamide
SMILESCCc1cc(CC(=O)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2OC)ccn1
InChIInChI=1S/C29H26N2O3/c1-3-24-17-20(15-16-30-24)18-27(32)26-19-25(13-14-28(26)34-2)31-29(33)23-11-9-22(10-12-23)21-7-5-4-6-8-21/h4-17,19H,3,18H2,1-2H3,(H,31,33)
InChIKeyFOLNNDPHPKNAKF-UHFFFAOYSA-N
XLogP6.00
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide
CID 90459882
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide
CID 90459234
4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide
CID 122500865
1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone
CID 147688075
N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-4-phenylbenzamide
CID 38629097
4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554
3,4-dimethoxy-N-[4-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]benzamide
CID 23098281
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide
CID 110410764

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-ethyl-4-pyridinyl)acetyl]-4-methoxyphenyl]-4-phenylbenzamide?
The IUPAC name of N-[3-[2-(2-ethyl-4-pyridinyl)acetyl]-4-methoxyphenyl]-4-phenylbenzamide (CID 158094058) is N-[3-[2-(2-ethyl-4-pyridinyl)acetyl]-4-methoxyphenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-[2-(2-ethyl-4-pyridinyl)acetyl]-4-methoxyphenyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-[2-(2-ethyl-4-pyridinyl)acetyl]-4-methoxyphenyl]-4-phenylbenzamide is CCc1cc(CC(=O)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2OC)ccn1.
What is the InChIKey of N-[3-[2-(2-ethyl-4-pyridinyl)acetyl]-4-methoxyphenyl]-4-phenylbenzamide?
The InChIKey is FOLNNDPHPKNAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-3-24-17-20(15-16-30-24)18-27(32)26-19-25(13-14-28(26)34-2)31-29(33)23-11-9-22(10-12-23)21-7-5-4-6-8-21/h4-17,19H,3,18H2,1-2H3,(H,31,33).
What are the key properties of N-[3-[2-(2-ethyl-4-pyridinyl)acetyl]-4-methoxyphenyl]-4-phenylbenzamide?
N-[3-[2-(2-ethyl-4-pyridinyl)acetyl]-4-methoxyphenyl]-4-phenylbenzamide has a molecular weight of 450.54 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-ethyl-4-pyridinyl)acetyl]-4-methoxyphenyl]-4-phenylbenzamide is sourced from PubChem (CID 158094058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).