2-amino-N-methyl-3-phenyl-N-propylpropanamide

C13H20N2O — CID 43271352

IUPAC2-amino-N-methyl-3-phenyl-N-propylpropanamide
SMILESCCCN(C)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-3-9-15(2)13(16)12(14)10-11-7-5-4-6-8-11/h4-8,12H,3,9-10,14H2,1-2H3
InChIKeySMNWJRQZZUYZTQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.42
Rot. Bonds5

About 2-amino-N-methyl-3-phenyl-N-propylpropanamide

2-amino-N-methyl-3-phenyl-N-propylpropanamide (PubChem CID 43271352) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-N-methyl-3-phenyl-N-propylpropanamide.

Molecular Properties

Compound Name2-amino-N-methyl-3-phenyl-N-propylpropanamide
PubChem CID43271352
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-amino-N-methyl-3-phenyl-N-propylpropanamide
SMILESCCCN(C)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-3-9-15(2)13(16)12(14)10-11-7-5-4-6-8-11/h4-8,12H,3,9-10,14H2,1-2H3
InChIKeySMNWJRQZZUYZTQ-UHFFFAOYSA-N
XLogP1.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
2-amino-3-phenyl-N,N-dipropylpropanamide;hydrochloride
CID 56831878
(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
CID 103797277
(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride
CID 119280650
6-[(2-amino-3-phenylpropanoyl)-methylamino]hexanoic acid
CID 70550691
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 78984867
(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154334
methyl 4-[(2-amino-3-phenylpropanoyl)-methylamino]butanoate
CID 60947770
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide
CID 79379287
(2R)-2-amino-N-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 79494737

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-3-phenyl-N-propylpropanamide?
The IUPAC name of 2-amino-N-methyl-3-phenyl-N-propylpropanamide (CID 43271352) is 2-amino-N-methyl-3-phenyl-N-propylpropanamide.
What is the SMILES notation for 2-amino-N-methyl-3-phenyl-N-propylpropanamide?
The canonical SMILES for 2-amino-N-methyl-3-phenyl-N-propylpropanamide is CCCN(C)C(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-methyl-3-phenyl-N-propylpropanamide?
The InChIKey is SMNWJRQZZUYZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-9-15(2)13(16)12(14)10-11-7-5-4-6-8-11/h4-8,12H,3,9-10,14H2,1-2H3.
What are the key properties of 2-amino-N-methyl-3-phenyl-N-propylpropanamide?
2-amino-N-methyl-3-phenyl-N-propylpropanamide has a molecular weight of 220.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-3-phenyl-N-propylpropanamide is sourced from PubChem (CID 43271352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).