(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide

C13H20N2O — CID 165438311

IUPAC(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)[C@H](C)NC)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-4-12(11-8-6-5-7-9-11)15-13(16)10(2)14-3/h5-10,12,14H,4H2,1-3H3,(H,15,16)/t10-,12?/m0/s1
InChIKeyBNMXULVNWORCMB-NUHJPDEHSA-N
MW220.32 g/mol
LogP1.86
Rot. Bonds5

About (2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide

(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide (PubChem CID 165438311) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
PubChem CID165438311
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)[C@H](C)NC)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-4-12(11-8-6-5-7-9-11)15-13(16)10(2)14-3/h5-10,12,14H,4H2,1-3H3,(H,15,16)/t10-,12?/m0/s1
InChIKeyBNMXULVNWORCMB-NUHJPDEHSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
N-(2-ethyl-1-phenylbutyl)-2-(methylamino)propanamide
CID 62637480
2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide
CID 63870086
2-(methylamino)-N-[(1R)-1-phenylethyl]propanamide
CID 78953244
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
(2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide
CID 94396295
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
2-chloro-N-(1-phenylpropyl)pentanamide
CID 165438595
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide
CID 62050254

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide (CID 165438311) is (2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide is CCC(NC(=O)[C@H](C)NC)c1ccccc1.
What is the InChIKey of (2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide?
The InChIKey is BNMXULVNWORCMB-NUHJPDEHSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-12(11-8-6-5-7-9-11)15-13(16)10(2)14-3/h5-10,12,14H,4H2,1-3H3,(H,15,16)/t10-,12?/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide?
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide has a molecular weight of 220.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide is sourced from PubChem (CID 165438311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).