2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide

C24H31N3O3 — CID 55527592

IUPAC2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
SMILESCC(C)Cc1ccc(CC(=O)Nc2ccc(NC(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C24H31N3O3/c1-17(2)14-18-5-7-19(8-6-18)15-23(28)26-20-9-11-21(12-10-20)27-24(29)25-16-22-4-3-13-30-22/h5-12,17,22H,3-4,13-16H2,1-2H3,(H,26,28)(H2,25,27,29)
InChIKeyJBZCQODMPXXJCJ-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.37
Rot. Bonds8

About 2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide

2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide (PubChem CID 55527592) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
PubChem CID55527592
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
SMILESCC(C)Cc1ccc(CC(=O)Nc2ccc(NC(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C24H31N3O3/c1-17(2)14-18-5-7-19(8-6-18)15-23(28)26-20-9-11-21(12-10-20)27-24(29)25-16-22-4-3-13-30-22/h5-12,17,22H,3-4,13-16H2,1-2H3,(H,26,28)(H2,25,27,29)
InChIKeyJBZCQODMPXXJCJ-UHFFFAOYSA-N
XLogP4.37
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2R)-oxolan-2-yl]methyl]-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
CID 94427132
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 54782327
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119701973
4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42427432
2-(2,5-dimethylphenyl)sulfanyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 55527496
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 46537419
2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981222
2-(4-fluorophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981193
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55651787

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide (CID 55527592) is 2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide is CC(C)Cc1ccc(CC(=O)Nc2ccc(NC(=O)NCC3CCCO3)cc2)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide?
The InChIKey is JBZCQODMPXXJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17(2)14-18-5-7-19(8-6-18)15-23(28)26-20-9-11-21(12-10-20)27-24(29)25-16-22-4-3-13-30-22/h5-12,17,22H,3-4,13-16H2,1-2H3,(H,26,28)(H2,25,27,29).
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide?
2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 4.37, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 55527592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).