3-methyl-2-(3-phenylpropanoylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide

C25H32N2O2 — CID 42704009

IUPAC3-methyl-2-(3-phenylpropanoylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
SMILESCCC(C)C(NC(=O)CCc1ccccc1)C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C25H32N2O2/c1-3-18(2)24(27-23(28)17-16-19-10-5-4-6-11-19)25(29)26-22-15-9-13-20-12-7-8-14-21(20)22/h4-8,10-12,14,18,22,24H,3,9,13,15-17H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyYBLFQJQANSCYBR-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.34
Rot. Bonds8

About 3-methyl-2-(3-phenylpropanoylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide

3-methyl-2-(3-phenylpropanoylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide (PubChem CID 42704009) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 3-methyl-2-(3-phenylpropanoylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide.

Molecular Properties

Compound Name3-methyl-2-(3-phenylpropanoylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
PubChem CID42704009
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name3-methyl-2-(3-phenylpropanoylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
SMILESCCC(C)C(NC(=O)CCc1ccccc1)C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C25H32N2O2/c1-3-18(2)24(27-23(28)17-16-19-10-5-4-6-11-19)25(29)26-22-15-9-13-20-12-7-8-14-21(20)22/h4-8,10-12,14,18,22,24H,3,9,13,15-17H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyYBLFQJQANSCYBR-UHFFFAOYSA-N
XLogP4.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
N-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide
CID 42696307
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848150
3-(4-tert-butylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28578102
3-(4-tert-butylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43876941
3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28556838
3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28556831
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4826101
6,7-dimethoxy-N-[(2S,3R)-3-methyl-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 40946829
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 144973530
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710167

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-phenylpropanoylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide?
The IUPAC name of 3-methyl-2-(3-phenylpropanoylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide (CID 42704009) is 3-methyl-2-(3-phenylpropanoylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide.
What is the SMILES notation for 3-methyl-2-(3-phenylpropanoylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide?
The canonical SMILES for 3-methyl-2-(3-phenylpropanoylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide is CCC(C)C(NC(=O)CCc1ccccc1)C(=O)NC1CCCc2ccccc21.
What is the InChIKey of 3-methyl-2-(3-phenylpropanoylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide?
The InChIKey is YBLFQJQANSCYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-3-18(2)24(27-23(28)17-16-19-10-5-4-6-11-19)25(29)26-22-15-9-13-20-12-7-8-14-21(20)22/h4-8,10-12,14,18,22,24H,3,9,13,15-17H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 3-methyl-2-(3-phenylpropanoylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide?
3-methyl-2-(3-phenylpropanoylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide has a molecular weight of 392.54 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-phenylpropanoylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide is sourced from PubChem (CID 42704009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).