2-(dimethylamino)-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]benzamide

C36H35N3O2 — CID 174298809

IUPAC2-(dimethylamino)-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]benzamide
SMILESCN(C)c1ccccc1C(=O)Nc1ccc(C(=O)C2=c3ccc4c(c3CCC2)C(N(C)C)C=c2ccccc2=4)cc1
InChIInChI=1S/C36H35N3O2/c1-38(2)32-15-8-7-12-31(32)36(41)37-25-18-16-23(17-19-25)35(40)30-14-9-13-28-27(30)20-21-29-26-11-6-5-10-24(26)22-33(34(28)29)39(3)4/h5-8,10-12,15-22,33H,9,13-14H2,1-4H3,(H,37,41)
InChIKeyNXLVZXTUNHLJDI-UHFFFAOYSA-N
MW541.70 g/mol
LogP5.06
Rot. Bonds6

About 2-(dimethylamino)-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]benzamide

2-(dimethylamino)-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]benzamide (PubChem CID 174298809) has the molecular formula C36H35N3O2 and a molecular weight of 541.70 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]benzamide
PubChem CID174298809
Molecular FormulaC36H35N3O2
Molecular Weight541.70 g/mol
Exact Mass541.27
IUPAC Name2-(dimethylamino)-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]benzamide
SMILESCN(C)c1ccccc1C(=O)Nc1ccc(C(=O)C2=c3ccc4c(c3CCC2)C(N(C)C)C=c2ccccc2=4)cc1
InChIInChI=1S/C36H35N3O2/c1-38(2)32-15-8-7-12-31(32)36(41)37-25-18-16-23(17-19-25)35(40)30-14-9-13-28-27(30)20-21-29-26-11-6-5-10-24(26)22-33(34(28)29)39(3)4/h5-8,10-12,15-22,33H,9,13-14H2,1-4H3,(H,37,41)
InChIKeyNXLVZXTUNHLJDI-UHFFFAOYSA-N
XLogP5.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.70
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]-3-methylphenyl]benzamide
CID 174410310
N-[4-[5-[benzoyl(methyl)amino]-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]-2-methylbenzamide
CID 174298810
ethyl 2-[methyl-[1-[4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydrochrysen-5-yl]amino]acetate
CID 174294144
2-chloro-N-[3-chloro-4-[5-(dimethylamino)-7-hydroxy-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]benzamide
CID 174324486
[1-[4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydrochrysen-5-yl]methyl methanesulfonate
CID 174294145
3,5-dimethoxy-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]benzamide
CID 174412438
2-[2-[[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 174294905
[2-methyl-4-(2-methylanilino)phenyl]-(2,3,4,5-tetrahydrochrysen-1-yl)methanone
CID 174326576
1H-1,4-benzodiazepine;4-methylbenzene-1,3-dicarboxylic acid;2,3,5-trichloro-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]benzamide
CID 174291020
N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
CID 811772
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698586
2-[4-(aminomethyl)phenyl]-N-[4-[1-(3,4-dimethoxyphenyl)sulfonyl-2,3,4,5-tetrahydrochrysene-5-carbonyl]phenyl]benzamide
CID 174303208

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]benzamide?
The IUPAC name of 2-(dimethylamino)-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]benzamide (CID 174298809) is 2-(dimethylamino)-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]benzamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]benzamide is CN(C)c1ccccc1C(=O)Nc1ccc(C(=O)C2=c3ccc4c(c3CCC2)C(N(C)C)C=c2ccccc2=4)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]benzamide?
The InChIKey is NXLVZXTUNHLJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N3O2/c1-38(2)32-15-8-7-12-31(32)36(41)37-25-18-16-23(17-19-25)35(40)30-14-9-13-28-27(30)20-21-29-26-11-6-5-10-24(26)22-33(34(28)29)39(3)4/h5-8,10-12,15-22,33H,9,13-14H2,1-4H3,(H,37,41).
What are the key properties of 2-(dimethylamino)-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]benzamide?
2-(dimethylamino)-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]benzamide has a molecular weight of 541.70 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 174298809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).