2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide

C21H26ClN3O2 — CID 60604445

IUPAC2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)NCC(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C21H26ClN3O2/c1-4-15-8-5-6-11-18(15)25-19(26)13-23-20(27)24-14-21(2,3)16-9-7-10-17(22)12-16/h5-12H,4,13-14H2,1-3H3,(H,25,26)(H2,23,24,27)
InChIKeyXSBWLAHKCIHKJT-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.12
Rot. Bonds7

About 2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide

2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 60604445) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide
PubChem CID60604445
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)NCC(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C21H26ClN3O2/c1-4-15-8-5-6-11-18(15)25-19(26)13-23-20(27)24-14-21(2,3)16-9-7-10-17(22)12-16/h5-12H,4,13-14H2,1-3H3,(H,25,26)(H2,23,24,27)
InChIKeyXSBWLAHKCIHKJT-UHFFFAOYSA-N
XLogP4.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide
CID 110441534
3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 27762230
3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide
CID 51128640
2-[(2-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772197
2-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]acetamide
CID 9090821
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756947
N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968198
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 110441462
N-[2-(3-chlorophenyl)ethyl]-N'-(2-ethylphenyl)propanediamide
CID 108952537
N-(2-ethylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]acetamide
CID 38167227
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea
CID 90600196
5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 46654582

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide (CID 60604445) is 2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CNC(=O)NCC(C)(C)c1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is XSBWLAHKCIHKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-4-15-8-5-6-11-18(15)25-19(26)13-23-20(27)24-14-21(2,3)16-9-7-10-17(22)12-16/h5-12H,4,13-14H2,1-3H3,(H,25,26)(H2,23,24,27).
What are the key properties of 2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide?
2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 387.91 g/mol, XLogP of 4.12, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 60604445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).