N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(5-methoxy-3-pyridinyl)phenyl]cyclohexanecarboxamide

C34H37N3O2 — CID 126696428

IUPACN-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(5-methoxy-3-pyridinyl)phenyl]cyclohexanecarboxamide
SMILESCOc1cncc(-c2cccc(N(Cc3ccc(-c4ccc(N(C)C)cc4)cc3)C(=O)C3CCCCC3)c2)c1
InChIInChI=1S/C34H37N3O2/c1-36(2)31-18-16-27(17-19-31)26-14-12-25(13-15-26)24-37(34(38)28-8-5-4-6-9-28)32-11-7-10-29(20-32)30-21-33(39-3)23-35-22-30/h7,10-23,28H,4-6,8-9,24H2,1-3H3
InChIKeyGNROXEVONXEHCJ-UHFFFAOYSA-N
MW519.69 g/mol
LogP7.60
Rot. Bonds8

About N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(5-methoxy-3-pyridinyl)phenyl]cyclohexanecarboxamide

N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(5-methoxy-3-pyridinyl)phenyl]cyclohexanecarboxamide (PubChem CID 126696428) has the molecular formula C34H37N3O2 and a molecular weight of 519.69 g/mol. Its IUPAC name is N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(5-methoxy-3-pyridinyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(5-methoxy-3-pyridinyl)phenyl]cyclohexanecarboxamide
PubChem CID126696428
Molecular FormulaC34H37N3O2
Molecular Weight519.69 g/mol
Exact Mass519.29
IUPAC NameN-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(5-methoxy-3-pyridinyl)phenyl]cyclohexanecarboxamide
SMILESCOc1cncc(-c2cccc(N(Cc3ccc(-c4ccc(N(C)C)cc4)cc3)C(=O)C3CCCCC3)c2)c1
InChIInChI=1S/C34H37N3O2/c1-36(2)31-18-16-27(17-19-31)26-14-12-25(13-15-26)24-37(34(38)28-8-5-4-6-9-28)32-11-7-10-29(20-32)30-21-33(39-3)23-35-22-30/h7,10-23,28H,4-6,8-9,24H2,1-3H3
InChIKeyGNROXEVONXEHCJ-UHFFFAOYSA-N
XLogP7.60
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.69
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[methyl(propyl)amino]phenyl]cyclohexanecarboxamide
CID 145278184
2-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]-N-methylanilino]acetic acid
CID 126696420
N-(1-cyclohexylethenyl)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-3-(5-ethyl-3-pyridinyl)aniline
CID 126717172
N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide;methoxymethane
CID 144922429
methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]but-2-enoate
CID 126717096
methyl 2-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]cyclohexane-1-carboxylate
CID 118367920
methyl 3-[2-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]-2-oxoethyl]benzoate
CID 153004400
N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(2-pyridin-2-ylethenyl)phenyl]cyclohexanecarboxamide
CID 135344271
N-[3-[(4-chlorobutylamino)methyl]phenyl]-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]cyclohexanecarboxamide
CID 126696434
methyl 8-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]naphthalene-2-carboxylate
CID 126718550
2-(dimethylamino)ethyl (E)-3-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]prop-2-enoate
CID 135310315
(E)-3-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]prop-2-enoic acid;N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-[(E)-3-oxopent-1-enyl]phenyl]cyclohexanecarboxamide
CID 158927064

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(5-methoxy-3-pyridinyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(5-methoxy-3-pyridinyl)phenyl]cyclohexanecarboxamide (CID 126696428) is N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(5-methoxy-3-pyridinyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(5-methoxy-3-pyridinyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(5-methoxy-3-pyridinyl)phenyl]cyclohexanecarboxamide is COc1cncc(-c2cccc(N(Cc3ccc(-c4ccc(N(C)C)cc4)cc3)C(=O)C3CCCCC3)c2)c1.
What is the InChIKey of N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(5-methoxy-3-pyridinyl)phenyl]cyclohexanecarboxamide?
The InChIKey is GNROXEVONXEHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O2/c1-36(2)31-18-16-27(17-19-31)26-14-12-25(13-15-26)24-37(34(38)28-8-5-4-6-9-28)32-11-7-10-29(20-32)30-21-33(39-3)23-35-22-30/h7,10-23,28H,4-6,8-9,24H2,1-3H3.
What are the key properties of N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(5-methoxy-3-pyridinyl)phenyl]cyclohexanecarboxamide?
N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(5-methoxy-3-pyridinyl)phenyl]cyclohexanecarboxamide has a molecular weight of 519.69 g/mol, XLogP of 7.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-N-[3-(5-methoxy-3-pyridinyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 126696428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).