N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide

C14H22N2O — CID 81361243

IUPACN-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
SMILESCCNC(=O)C(C)N[C@@H](C)c1cccc(C)c1
InChIInChI=1S/C14H22N2O/c1-5-15-14(17)12(4)16-11(3)13-8-6-7-10(2)9-13/h6-9,11-12,16H,5H2,1-4H3,(H,15,17)/t11-,12?/m0/s1
InChIKeyLNAPAZFFHYQTOR-PXYINDEMSA-N
MW234.34 g/mol
LogP2.17
Rot. Bonds5

About N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide

N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide (PubChem CID 81361243) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
PubChem CID81361243
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
SMILESCCNC(=O)C(C)N[C@@H](C)c1cccc(C)c1
InChIInChI=1S/C14H22N2O/c1-5-15-14(17)12(4)16-11(3)13-8-6-7-10(2)9-13/h6-9,11-12,16H,5H2,1-4H3,(H,15,17)/t11-,12?/m0/s1
InChIKeyLNAPAZFFHYQTOR-PXYINDEMSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-N-pentylpropanamide
CID 81361574
2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide
CID 81301009
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
ethyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81361138
N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361059
2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanoic acid
CID 81363547
methyl 2-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81363693
methyl 2-[1-(3-methylphenyl)ethylamino]propanoate
CID 60781961
N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide
CID 43574263
ethane;N-ethyl-2-(hydroxyamino)-2-(3-methylphenyl)acetamide
CID 153404645
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
CID 81352154
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
CID 81360050

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide?
The IUPAC name of N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide (CID 81361243) is N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide.
What is the SMILES notation for N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide?
The canonical SMILES for N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide is CCNC(=O)C(C)N[C@@H](C)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide?
The InChIKey is LNAPAZFFHYQTOR-PXYINDEMSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-15-14(17)12(4)16-11(3)13-8-6-7-10(2)9-13/h6-9,11-12,16H,5H2,1-4H3,(H,15,17)/t11-,12?/m0/s1.
What are the key properties of N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide?
N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide has a molecular weight of 234.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide is sourced from PubChem (CID 81361243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).