N-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide

C34H35N3O8 — CID 139222900

IUPACN-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3[nH]c4c(C)cc(NC(=O)c5cc(OC)c(OC)c(OC)c5)c(C)c4c3c2)cc(OC)c1OC
InChIInChI=1S/C34H35N3O8/c1-17-11-24(37-34(39)20-14-27(42-5)32(45-8)28(15-20)43-6)18(2)29-22-16-21(9-10-23(22)36-30(17)29)35-33(38)19-12-25(40-3)31(44-7)26(13-19)41-4/h9-16,36H,1-8H3,(H,35,38)(H,37,39)
InChIKeyBKBHPTCBLYQOOB-UHFFFAOYSA-N
MW613.67 g/mol
LogP6.49
Rot. Bonds10

About N-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide

N-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide (PubChem CID 139222900) has the molecular formula C34H35N3O8 and a molecular weight of 613.67 g/mol. Its IUPAC name is N-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide
PubChem CID139222900
Molecular FormulaC34H35N3O8
Molecular Weight613.67 g/mol
Exact Mass613.24
IUPAC NameN-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3[nH]c4c(C)cc(NC(=O)c5cc(OC)c(OC)c(OC)c5)c(C)c4c3c2)cc(OC)c1OC
InChIInChI=1S/C34H35N3O8/c1-17-11-24(37-34(39)20-14-27(42-5)32(45-8)28(15-20)43-6)18(2)29-22-16-21(9-10-23(22)36-30(17)29)35-33(38)19-12-25(40-3)31(44-7)26(13-19)41-4/h9-16,36H,1-8H3,(H,35,38)(H,37,39)
InChIKeyBKBHPTCBLYQOOB-UHFFFAOYSA-N
XLogP6.49
TPSA129.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.67
LogP ≤ 56.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide with MolForge

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Related Compounds

methyl 1-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 162654045
3,4,5-trimethoxy-N-(2-oxo-3H-1,3-benzothiazol-6-yl)benzamide
CID 15990360
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
2-iodo-5-[(3,4,5-trimethoxybenzoyl)amino]benzoic acid
CID 2974192
N-(1,3-dioxoisoindol-5-yl)-3,4,5-trimethoxybenzamide
CID 2230182
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide
CID 3117342
N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide
CID 84580880
N-(4-ethynylphenyl)-3,4,5-trimethoxybenzamide
CID 91398084
3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide
CID 26435232
3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide
CID 2107760
N-[(3,4-dimethylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 1139112

Frequently Asked Questions

What is the IUPAC name of N-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide (CID 139222900) is N-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc3[nH]c4c(C)cc(NC(=O)c5cc(OC)c(OC)c(OC)c5)c(C)c4c3c2)cc(OC)c1OC.
What is the InChIKey of N-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is BKBHPTCBLYQOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3O8/c1-17-11-24(37-34(39)20-14-27(42-5)32(45-8)28(15-20)43-6)18(2)29-22-16-21(9-10-23(22)36-30(17)29)35-33(38)19-12-25(40-3)31(44-7)26(13-19)41-4/h9-16,36H,1-8H3,(H,35,38)(H,37,39).
What are the key properties of N-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide?
N-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 613.67 g/mol, XLogP of 6.49, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,8-dimethyl-6-[(3,4,5-trimethoxybenzoyl)amino]-9H-carbazol-3-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 139222900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).