N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide

C15H23ClN2O — CID 112688495

IUPACN-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide
SMILESCC(NCCC(=O)NC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-11(12-7-5-6-8-13(12)16)17-10-9-14(19)18-15(2,3)4/h5-8,11,17H,9-10H2,1-4H3,(H,18,19)
InChIKeyUBEPVHMCCWTZTQ-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.30
Rot. Bonds5

About N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide

N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide (PubChem CID 112688495) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide
PubChem CID112688495
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide
SMILESCC(NCCC(=O)NC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-11(12-7-5-6-8-13(12)16)17-10-9-14(19)18-15(2,3)4/h5-8,11,17H,9-10H2,1-4H3,(H,18,19)
InChIKeyUBEPVHMCCWTZTQ-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide 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

ethyl 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propanoate
CID 81378408
tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate
CID 81378736
N-tert-butyl-2-[1-(2-chlorophenyl)ethyl-methylamino]acetamide
CID 84831983
methyl 4-[1-(2-chlorophenyl)ethylamino]butanoate
CID 60694137
N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]acetamide
CID 8767576
N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide
CID 112688580
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209435
N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide
CID 112688583
3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide
CID 81378564
N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 115605278
(2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide
CID 51925554
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81377388

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide (CID 112688495) is N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide is CC(NCCC(=O)NC(C)(C)C)c1ccccc1Cl.
What is the InChIKey of N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide?
The InChIKey is UBEPVHMCCWTZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(12-7-5-6-8-13(12)16)17-10-9-14(19)18-15(2,3)4/h5-8,11,17H,9-10H2,1-4H3,(H,18,19).
What are the key properties of N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide?
N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide has a molecular weight of 282.81 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide is sourced from PubChem (CID 112688495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).