2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C22H28N2O — CID 9132035

IUPAC2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(C)[C@@H](NCC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-16(2)22(18-10-4-3-5-11-18)23-15-21(25)24-20-14-8-12-17-9-6-7-13-19(17)20/h3-7,9-11,13,16,20,22-23H,8,12,14-15H2,1-2H3,(H,24,25)/t20-,22+/m0/s1
InChIKeyOQXGWZXTIPVBLG-RBBKRZOGSA-N
MW336.48 g/mol
LogP4.17
Rot. Bonds6

About 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 9132035) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID9132035
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(C)[C@@H](NCC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-16(2)22(18-10-4-3-5-11-18)23-15-21(25)24-20-14-8-12-17-9-6-7-13-19(17)20/h3-7,9-11,13,16,20,22-23H,8,12,14-15H2,1-2H3,(H,24,25)/t20-,22+/m0/s1
InChIKeyOQXGWZXTIPVBLG-RBBKRZOGSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-phenylethyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8898721
2-[[(1R)-1-phenylethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8898719
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8755078
N-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,2-diphenylacetamide
CID 143477934
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9377036
3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119948742
[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
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
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 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 9132035) is 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CC(C)[C@@H](NCC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1.
What is the InChIKey of 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is OQXGWZXTIPVBLG-RBBKRZOGSA-N. The full InChI is InChI=1S/C22H28N2O/c1-16(2)22(18-10-4-3-5-11-18)23-15-21(25)24-20-14-8-12-17-9-6-7-13-19(17)20/h3-7,9-11,13,16,20,22-23H,8,12,14-15H2,1-2H3,(H,24,25)/t20-,22+/m0/s1.
What are the key properties of 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 336.48 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 9132035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).