3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide

C17H26ClN3O3 — CID 51128640

IUPAC3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(=O)NCC(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClN3O3/c1-17(2,13-5-4-6-14(18)11-13)12-21-16(23)20-8-7-15(22)19-9-10-24-3/h4-6,11H,7-10,12H2,1-3H3,(H,19,22)(H2,20,21,23)
InChIKeyREMYMASZWXKMLS-UHFFFAOYSA-N
MW355.87 g/mol
LogP2.07
Rot. Bonds9

About 3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide

3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 51128640) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is 3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide
PubChem CID51128640
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(=O)NCC(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClN3O3/c1-17(2,13-5-4-6-14(18)11-13)12-21-16(23)20-8-7-15(22)19-9-10-24-3/h4-6,11H,7-10,12H2,1-3H3,(H,19,22)(H2,20,21,23)
InChIKeyREMYMASZWXKMLS-UHFFFAOYSA-N
XLogP2.07
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
CID 90600185
1-[2-(3-chlorophenyl)-2-methylpropyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426803
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-phenylpropanamide
CID 110441534
2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347237
3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015134
2-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-ethylphenyl)acetamide
CID 60604445
2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62772834
3-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]carbamoylamino]propanoic acid
CID 122000298
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 110441462
2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 103764472
3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide
CID 113127188
2-(2-methoxyethylamino)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide;hydrochloride
CID 119757019

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide (CID 51128640) is 3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNC(=O)NCC(C)(C)c1cccc(Cl)c1.
What is the InChIKey of 3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is REMYMASZWXKMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3/c1-17(2,13-5-4-6-14(18)11-13)12-21-16(23)20-8-7-15(22)19-9-10-24-3/h4-6,11H,7-10,12H2,1-3H3,(H,19,22)(H2,20,21,23).
What are the key properties of 3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide?
3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 355.87 g/mol, XLogP of 2.07, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 51128640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).