3-amino-N-(1-phenylethyl)propanamide

C11H16N2O — CID 16784228

IUPAC3-amino-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCN)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-9(13-11(14)7-8-12)10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3,(H,13,14)
InChIKeyNKESIOZGUGEVDQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.21
Rot. Bonds4

About 3-amino-N-(1-phenylethyl)propanamide

3-amino-N-(1-phenylethyl)propanamide (PubChem CID 16784228) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-amino-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(1-phenylethyl)propanamide
PubChem CID16784228
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-amino-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCN)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-9(13-11(14)7-8-12)10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3,(H,13,14)
InChIKeyNKESIOZGUGEVDQ-UHFFFAOYSA-N
XLogP1.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(1-phenylethyl)acetamide
CID 10631169
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360634
4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride
CID 119269129
4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 70328531
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
3-amino-N-[1-(4-ethylsulfanylphenyl)ethyl]propanamide
CID 119318049
2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
CID 107863936
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-amino-N-(1-phenylethyl)propanamide (CID 16784228) is 3-amino-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-amino-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-amino-N-(1-phenylethyl)propanamide is CC(NC(=O)CCN)c1ccccc1.
What is the InChIKey of 3-amino-N-(1-phenylethyl)propanamide?
The InChIKey is NKESIOZGUGEVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9(13-11(14)7-8-12)10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-N-(1-phenylethyl)propanamide?
3-amino-N-(1-phenylethyl)propanamide has a molecular weight of 192.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 16784228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).