[4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]carbamic acid

C23H26N4O6 — CID 123664379

IUPAC[4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]carbamic acid
SMILESCOc1c(C(=O)Nc2ccc(NC(=O)O)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C
InChIInChI=1S/C23H26N4O6/c1-23(2,3)17-12-15(27-10-9-18(28)26-21(27)30)11-16(19(17)33-4)20(29)24-13-5-7-14(8-6-13)25-22(31)32/h5-8,11-12,25H,9-10H2,1-4H3,(H,24,29)(H,31,32)(H,26,28,30)
InChIKeyPTTMNYSYEPWIHC-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.78
Rot. Bonds5

About [4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]carbamic acid

[4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]carbamic acid (PubChem CID 123664379) has the molecular formula C23H26N4O6 and a molecular weight of 454.48 g/mol. Its IUPAC name is [4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]carbamic acid
PubChem CID123664379
Molecular FormulaC23H26N4O6
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC Name[4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]carbamic acid
SMILESCOc1c(C(=O)Nc2ccc(NC(=O)O)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C
InChIInChI=1S/C23H26N4O6/c1-23(2,3)17-12-15(27-10-9-18(28)26-21(27)30)11-16(19(17)33-4)20(29)24-13-5-7-14(8-6-13)25-22(31)32/h5-8,11-12,25H,9-10H2,1-4H3,(H,24,29)(H,31,32)(H,26,28,30)
InChIKeyPTTMNYSYEPWIHC-UHFFFAOYSA-N
XLogP3.78
TPSA137.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]carbamic acid with MolForge

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Related Compounds

ethyl 3-[4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]-3-oxopropanoate
CID 67066418
methyl N-[4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]-N-methylsulfonylcarbamate
CID 67066514
1-[3-tert-butyl-5-[[4-[[2-carboxybutyl(sulfinato)amino]methyl]phenyl]carbamoyl]-4-methoxyphenyl]-2,4-dioxo-1,3-diazinane
CID 90106041
N-[5-[bis(methylsulfonyl)amino]-2-pyridinyl]-3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzamide
CID 90105304
3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-hydroxy-N-[4-(methanesulfonamido)phenyl]benzamide
CID 42600064
3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-N-[4-(methanesulfonamido)phenyl]-2-methoxy-N-methylbenzamide
CID 42599815
2-[5-(2,4-dioxo-1,3-diazinan-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid
CID 74411338
3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-N-[4-(methanesulfonamido)phenyl]benzamide
CID 67066484
N-[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-hydroxyphenyl]-4-(methanesulfonamido)benzamide
CID 87256046
N-[[4-[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxyphenyl]-2,6-difluorophenyl]methylideneamino]methanesulfonamide
CID 67066534
N-[[5-[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxyphenyl]-2-methoxyphenyl]methylideneamino]methanesulfonamide
CID 67066379
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid
CID 28674729

Frequently Asked Questions

What is the IUPAC name of [4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]carbamic acid?
The IUPAC name of [4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]carbamic acid (CID 123664379) is [4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]carbamic acid.
What is the SMILES notation for [4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]carbamic acid?
The canonical SMILES for [4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]carbamic acid is COc1c(C(=O)Nc2ccc(NC(=O)O)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C.
What is the InChIKey of [4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]carbamic acid?
The InChIKey is PTTMNYSYEPWIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6/c1-23(2,3)17-12-15(27-10-9-18(28)26-21(27)30)11-16(19(17)33-4)20(29)24-13-5-7-14(8-6-13)25-22(31)32/h5-8,11-12,25H,9-10H2,1-4H3,(H,24,29)(H,31,32)(H,26,28,30).
What are the key properties of [4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]carbamic acid?
[4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]carbamic acid has a molecular weight of 454.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxybenzoyl]amino]phenyl]carbamic acid is sourced from PubChem (CID 123664379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).