2-amino-3-(2-propylanilino)propanamide

C12H19N3O — CID 103246191

IUPAC2-amino-3-(2-propylanilino)propanamide
SMILESCCCc1ccccc1NCC(N)C(N)=O
InChIInChI=1S/C12H19N3O/c1-2-5-9-6-3-4-7-11(9)15-8-10(13)12(14)16/h3-4,6-7,10,15H,2,5,8,13H2,1H3,(H2,14,16)
InChIKeyXBVVBQIECUIQNE-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.86
Rot. Bonds6

About 2-amino-3-(2-propylanilino)propanamide

2-amino-3-(2-propylanilino)propanamide (PubChem CID 103246191) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-3-(2-propylanilino)propanamide.

Molecular Properties

Compound Name2-amino-3-(2-propylanilino)propanamide
PubChem CID103246191
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-3-(2-propylanilino)propanamide
SMILESCCCc1ccccc1NCC(N)C(N)=O
InChIInChI=1S/C12H19N3O/c1-2-5-9-6-3-4-7-11(9)15-8-10(13)12(14)16/h3-4,6-7,10,15H,2,5,8,13H2,1H3,(H2,14,16)
InChIKeyXBVVBQIECUIQNE-UHFFFAOYSA-N
XLogP0.86
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[2-(methoxymethyl)anilino]propanamide
CID 103247186
2-amino-3-(2-ethylanilino)propanoic acid
CID 103235875
methyl 2-acetamido-3-(2-propylanilino)propanoate
CID 103246193
2-methyl-3-(2-propylanilino)propan-1-ol
CID 115872000
(2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide
CID 103928701
2-amino-4-methyl-N-(2-propylphenyl)pentanamide
CID 43703952
2-amino-3-(2-chloro-3-methylanilino)propanamide
CID 130495827
N-[2-(2-propylanilino)ethyl]acetamide
CID 107529290
1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol
CID 106989673
ethane;N-(2-propylphenyl)acetamide
CID 142804217
2-[(2-propylanilino)methyl]benzoic acid
CID 103246196
4-amino-N-(2-propylphenyl)pentanamide;hydrochloride
CID 120559764

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-propylanilino)propanamide?
The IUPAC name of 2-amino-3-(2-propylanilino)propanamide (CID 103246191) is 2-amino-3-(2-propylanilino)propanamide.
What is the SMILES notation for 2-amino-3-(2-propylanilino)propanamide?
The canonical SMILES for 2-amino-3-(2-propylanilino)propanamide is CCCc1ccccc1NCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-(2-propylanilino)propanamide?
The InChIKey is XBVVBQIECUIQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-5-9-6-3-4-7-11(9)15-8-10(13)12(14)16/h3-4,6-7,10,15H,2,5,8,13H2,1H3,(H2,14,16).
What are the key properties of 2-amino-3-(2-propylanilino)propanamide?
2-amino-3-(2-propylanilino)propanamide has a molecular weight of 221.30 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-propylanilino)propanamide is sourced from PubChem (CID 103246191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).