2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide

C12H18N2O — CID 63870086

IUPAC2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide
SMILESCNC(C)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-9(11-7-5-4-6-8-11)14-12(15)10(2)13-3/h4-10,13H,1-3H3,(H,14,15)/t9-,10?/m0/s1
InChIKeyAUHJBEGKYVQHAZ-RGURZIINSA-N
MW206.29 g/mol
LogP1.47
Rot. Bonds4

About 2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide

2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 63870086) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide
PubChem CID63870086
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide
SMILESCNC(C)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-9(11-7-5-4-6-8-11)14-12(15)10(2)13-3/h4-10,13H,1-3H3,(H,14,15)/t9-,10?/m0/s1
InChIKeyAUHJBEGKYVQHAZ-RGURZIINSA-N
XLogP1.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-N-[(1R)-1-phenylethyl]propanamide
CID 78953244
2-(methylamino)-2-phenyl-N-(1-phenylethyl)acetamide
CID 12739398
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404462
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide
CID 62638247
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide (CID 63870086) is 2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide is CNC(C)C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is AUHJBEGKYVQHAZ-RGURZIINSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(11-7-5-4-6-8-11)14-12(15)10(2)13-3/h4-10,13H,1-3H3,(H,14,15)/t9-,10?/m0/s1.
What are the key properties of 2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide?
2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 206.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 63870086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).