N,N-di(propan-2-yl)-2,4-bis(2,4,6-trimethylphenoxy)benzamide

C31H39NO3 — CID 67649388

IUPACN,N-di(propan-2-yl)-2,4-bis(2,4,6-trimethylphenoxy)benzamide
SMILESCc1cc(C)c(Oc2ccc(C(=O)N(C(C)C)C(C)C)c(Oc3c(C)cc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C31H39NO3/c1-18(2)32(19(3)4)31(33)27-12-11-26(34-29-22(7)13-20(5)14-23(29)8)17-28(27)35-30-24(9)15-21(6)16-25(30)10/h11-19H,1-10H3
InChIKeyDKKGCWKPSMPSGI-UHFFFAOYSA-N
MW473.66 g/mol
LogP8.38
Rot. Bonds7

About N,N-di(propan-2-yl)-2,4-bis(2,4,6-trimethylphenoxy)benzamide

N,N-di(propan-2-yl)-2,4-bis(2,4,6-trimethylphenoxy)benzamide (PubChem CID 67649388) has the molecular formula C31H39NO3 and a molecular weight of 473.66 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2,4-bis(2,4,6-trimethylphenoxy)benzamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2,4-bis(2,4,6-trimethylphenoxy)benzamide
PubChem CID67649388
Molecular FormulaC31H39NO3
Molecular Weight473.66 g/mol
Exact Mass473.29
IUPAC NameN,N-di(propan-2-yl)-2,4-bis(2,4,6-trimethylphenoxy)benzamide
SMILESCc1cc(C)c(Oc2ccc(C(=O)N(C(C)C)C(C)C)c(Oc3c(C)cc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C31H39NO3/c1-18(2)32(19(3)4)31(33)27-12-11-26(34-29-22(7)13-20(5)14-23(29)8)17-28(27)35-30-24(9)15-21(6)16-25(30)10/h11-19H,1-10H3
InChIKeyDKKGCWKPSMPSGI-UHFFFAOYSA-N
XLogP8.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.66
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-di(propan-2-yl)-2,4-bis(2,4,6-trimethylphenoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethoxy-N,N-di(propan-2-yl)benzamide
CID 801007
4-tert-butyl-2-(2,4,6-trimethylphenoxy)benzoic acid
CID 121252139
2-(4-chlorophenoxy)-1,3,5-trimethylbenzene
CID 91665368
2-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-N,N-di(propan-2-yl)benzamide
CID 11057332
5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91757486
3-[4-[3-[cyclobutyl(methyl)carbamoyl]-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-methyl-3-oxopropanoic acid
CID 22344981
4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide
CID 132991594
2-(4-fluorophenyl)sulfanyl-4-(2,4,6-trimethylphenoxy)phenol
CID 142018538
1-(3,5-dimethylphenyl)-3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]urea
CID 10112746
1-[2-chloro-4-(2,4,6-trimethylphenoxy)phenyl]-2-(1,2,4-triazol-1-yl)ethanone
CID 90161958
2-bromo-5-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide
CID 102224018
4-[5-(4-carbamimidoylphenoxy)pentoxy]-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]-N,N-di(propan-2-yl)benzamide;hydrochloride
CID 67635434

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2,4-bis(2,4,6-trimethylphenoxy)benzamide?
The IUPAC name of N,N-di(propan-2-yl)-2,4-bis(2,4,6-trimethylphenoxy)benzamide (CID 67649388) is N,N-di(propan-2-yl)-2,4-bis(2,4,6-trimethylphenoxy)benzamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2,4-bis(2,4,6-trimethylphenoxy)benzamide?
The canonical SMILES for N,N-di(propan-2-yl)-2,4-bis(2,4,6-trimethylphenoxy)benzamide is Cc1cc(C)c(Oc2ccc(C(=O)N(C(C)C)C(C)C)c(Oc3c(C)cc(C)cc3C)c2)c(C)c1.
What is the InChIKey of N,N-di(propan-2-yl)-2,4-bis(2,4,6-trimethylphenoxy)benzamide?
The InChIKey is DKKGCWKPSMPSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39NO3/c1-18(2)32(19(3)4)31(33)27-12-11-26(34-29-22(7)13-20(5)14-23(29)8)17-28(27)35-30-24(9)15-21(6)16-25(30)10/h11-19H,1-10H3.
What are the key properties of N,N-di(propan-2-yl)-2,4-bis(2,4,6-trimethylphenoxy)benzamide?
N,N-di(propan-2-yl)-2,4-bis(2,4,6-trimethylphenoxy)benzamide has a molecular weight of 473.66 g/mol, XLogP of 8.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2,4-bis(2,4,6-trimethylphenoxy)benzamide is sourced from PubChem (CID 67649388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).