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

C34H29NO4 — CID 174412438

IUPAC3,5-dimethoxy-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(C(=O)C3=c4ccc5c(c4CCC3)CC=c3ccccc3=5)cc2)c1
InChIInChI=1S/C34H29NO4/c1-38-25-18-23(19-26(20-25)39-2)34(37)35-24-13-10-22(11-14-24)33(36)32-9-5-8-28-30-15-12-21-6-3-4-7-27(21)29(30)16-17-31(28)32/h3-4,6-7,10-14,16-20H,5,8-9,15H2,1-2H3,(H,35,37)
InChIKeyVDHMRMQRWJBJDU-UHFFFAOYSA-N
MW515.61 g/mol
LogP4.95
Rot. Bonds6

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

3,5-dimethoxy-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]benzamide (PubChem CID 174412438) has the molecular formula C34H29NO4 and a molecular weight of 515.61 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]benzamide
PubChem CID174412438
Molecular FormulaC34H29NO4
Molecular Weight515.61 g/mol
Exact Mass515.21
IUPAC Name3,5-dimethoxy-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(C(=O)C3=c4ccc5c(c4CCC3)CC=c3ccccc3=5)cc2)c1
InChIInChI=1S/C34H29NO4/c1-38-25-18-23(19-26(20-25)39-2)34(37)35-24-13-10-22(11-14-24)33(36)32-9-5-8-28-30-15-12-21-6-3-4-7-27(21)29(30)16-17-31(28)32/h3-4,6-7,10-14,16-20H,5,8-9,15H2,1-2H3,(H,35,37)
InChIKeyVDHMRMQRWJBJDU-UHFFFAOYSA-N
XLogP4.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 174294905
N-[4-(2-amino-2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]-3,5-dichlorobenzamide
CID 174347072
4-[(3,5-dimethoxybenzoyl)amino]benzoate
CID 3699347
N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986757
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide
CID 112988213
ethyl 2-[methyl-[1-[4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydrochrysen-5-yl]amino]acetate
CID 174294144
N-[4-[5-[benzoyl(methyl)amino]-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]-2-methylbenzamide
CID 174298810
N-(3-amino-4-methylphenyl)-3,5-dimethoxybenzamide
CID 24709261
N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide
CID 112984993
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1303974
2-chloro-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]-3-methylphenyl]benzamide
CID 174410310

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]benzamide (CID 174412438) is 3,5-dimethoxy-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)C3=c4ccc5c(c4CCC3)CC=c3ccccc3=5)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]benzamide?
The InChIKey is VDHMRMQRWJBJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29NO4/c1-38-25-18-23(19-26(20-25)39-2)34(37)35-24-13-10-22(11-14-24)33(36)32-9-5-8-28-30-15-12-21-6-3-4-7-27(21)29(30)16-17-31(28)32/h3-4,6-7,10-14,16-20H,5,8-9,15H2,1-2H3,(H,35,37).
What are the key properties of 3,5-dimethoxy-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]benzamide?
3,5-dimethoxy-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]benzamide has a molecular weight of 515.61 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[4-(2,3,4,5-tetrahydrochrysene-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 174412438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).