3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C19H22N2O — CID 119948742

IUPAC3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESNC(CC(=O)NC1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C19H22N2O/c20-17(15-8-2-1-3-9-15)13-19(22)21-18-12-6-10-14-7-4-5-11-16(14)18/h1-5,7-9,11,17-18H,6,10,12-13,20H2,(H,21,22)
InChIKeyPEMAPXPFAWPPJT-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.27
Rot. Bonds4

About 3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 119948742) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID119948742
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESNC(CC(=O)NC1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C19H22N2O/c20-17(15-8-2-1-3-9-15)13-19(22)21-18-12-6-10-14-7-4-5-11-16(14)18/h1-5,7-9,11,17-18H,6,10,12-13,20H2,(H,21,22)
InChIKeyPEMAPXPFAWPPJT-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 81076134
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821281
4-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide;hydrochloride
CID 120586516
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (3S)-3-phenylbutanoate
CID 7227571
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 144973530
3-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide;hydrochloride
CID 119951600
2-[[(1R)-1-phenylethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8898719
2-[[(1S)-1-phenylethyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8898721
N-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,2-diphenylacetamide
CID 143477934
3-amino-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119674447
N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide
CID 32745629
2-phenylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2707705

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 119948742) is 3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is NC(CC(=O)NC1CCCc2ccccc21)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is PEMAPXPFAWPPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c20-17(15-8-2-1-3-9-15)13-19(22)21-18-12-6-10-14-7-4-5-11-16(14)18/h1-5,7-9,11,17-18H,6,10,12-13,20H2,(H,21,22).
What are the key properties of 3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 294.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 119948742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).