N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide

C15H23ClN2O — CID 109031314

IUPACN-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide
SMILESCC(C)(C)NC(=O)CCNCCc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-15(2,3)18-14(19)8-10-17-9-7-12-5-4-6-13(16)11-12/h4-6,11,17H,7-10H2,1-3H3,(H,18,19)
InChIKeyRZPJAPCMAKUNIK-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.78
Rot. Bonds6

About N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide

N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide (PubChem CID 109031314) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide
PubChem CID109031314
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide
SMILESCC(C)(C)NC(=O)CCNCCc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-15(2,3)18-14(19)8-10-17-9-7-12-5-4-6-13(16)11-12/h4-6,11,17H,7-10H2,1-3H3,(H,18,19)
InChIKeyRZPJAPCMAKUNIK-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-(3-chloroanilino)propanamide
CID 109031344
3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
CID 109032115
3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide
CID 109020118
3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 109019799
N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109033323
N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide
CID 55024120
3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109033349
2-chloro-N-[4-(3-chlorophenyl)-2-methylbutan-2-yl]acetamide
CID 94698283
3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109033314
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013303
N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019632

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide (CID 109031314) is N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide is CC(C)(C)NC(=O)CCNCCc1cccc(Cl)c1.
What is the InChIKey of N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide?
The InChIKey is RZPJAPCMAKUNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-15(2,3)18-14(19)8-10-17-9-7-12-5-4-6-13(16)11-12/h4-6,11,17H,7-10H2,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide?
N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide has a molecular weight of 282.81 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide is sourced from PubChem (CID 109031314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).