3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide

C29H29N3O2 — CID 150182067

IUPAC3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C29H29N3O2/c1-20-12-15-24(30-29(34)23-10-7-11-25(18-23)32(2)3)19-27(20)31-28(21-8-5-4-6-9-21)22-13-16-26(33)17-14-22/h4-19,28,31,33H,1-3H3,(H,30,34)
InChIKeyFLQIXYARCLXQTM-UHFFFAOYSA-N
MW451.57 g/mol
LogP6.22
Rot. Bonds7

About 3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide

3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide (PubChem CID 150182067) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide
PubChem CID150182067
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC Name3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C29H29N3O2/c1-20-12-15-24(30-29(34)23-10-7-11-25(18-23)32(2)3)19-27(20)31-28(21-8-5-4-6-9-21)22-13-16-26(33)17-14-22/h4-19,28,31,33H,1-3H3,(H,30,34)
InChIKeyFLQIXYARCLXQTM-UHFFFAOYSA-N
XLogP6.22
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 56.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 22291047
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CID 22291070
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide
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3-(dimethylamino)-N-[3-[[4-[3-(dimethylamino)propyl-methylamino]benzoyl]amino]-4-methylphenyl]benzamide
CID 54439190
3-(dimethylamino)-N-[3-[[3-[3-(dimethylamino)-2-hydroxypropoxy]benzoyl]amino]-4-methylphenyl]benzamide
CID 22291123
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
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3-(dimethylamino)-N-[3-[4-(4-hydroxybenzoyl)-2-azabicyclo[1.1.0]butan-1-yl]-4-methylphenyl]benzamide
CID 143166663
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide (CID 150182067) is 3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide?
The InChIKey is FLQIXYARCLXQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-20-12-15-24(30-29(34)23-10-7-11-25(18-23)32(2)3)19-27(20)31-28(21-8-5-4-6-9-21)22-13-16-26(33)17-14-22/h4-19,28,31,33H,1-3H3,(H,30,34).
What are the key properties of 3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide?
3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide has a molecular weight of 451.57 g/mol, XLogP of 6.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-[[(4-hydroxyphenyl)-phenylmethyl]amino]-4-methylphenyl]benzamide is sourced from PubChem (CID 150182067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).