5-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(propanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide

C25H31N3O3 — CID 59978131

IUPAC5-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(propanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESCCC(=O)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NC)CCc2c(C)cccc2C1
InChIInChI=1S/C25H31N3O3/c1-4-22(29)28-25(14-13-20-17(2)9-8-12-19(20)16-25)24(31)27-21(23(30)26-3)15-18-10-6-5-7-11-18/h5-12,21H,4,13-16H2,1-3H3,(H,26,30)(H,27,31)(H,28,29)/t21-,25?/m1/s1
InChIKeyYMQHSGRGVMDJRN-JGKWMGOWSA-N
MW421.54 g/mol
LogP2.22
Rot. Bonds7

About 5-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(propanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide

5-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(propanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 59978131) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 5-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(propanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(propanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
PubChem CID59978131
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name5-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(propanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESCCC(=O)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NC)CCc2c(C)cccc2C1
InChIInChI=1S/C25H31N3O3/c1-4-22(29)28-25(14-13-20-17(2)9-8-12-19(20)16-25)24(31)27-21(23(30)26-3)15-18-10-6-5-7-11-18/h5-12,21H,4,13-16H2,1-3H3,(H,26,30)(H,27,31)(H,28,29)/t21-,25?/m1/s1
InChIKeyYMQHSGRGVMDJRN-JGKWMGOWSA-N
XLogP2.22
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(propanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of 5-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(propanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide (CID 59978131) is 5-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(propanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(propanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(propanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide is CCC(=O)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NC)CCc2c(C)cccc2C1.
What is the InChIKey of 5-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(propanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is YMQHSGRGVMDJRN-JGKWMGOWSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-4-22(29)28-25(14-13-20-17(2)9-8-12-19(20)16-25)24(31)27-21(23(30)26-3)15-18-10-6-5-7-11-18/h5-12,21H,4,13-16H2,1-3H3,(H,26,30)(H,27,31)(H,28,29)/t21-,25?/m1/s1.
What are the key properties of 5-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(propanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide?
5-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(propanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(propanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 59978131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).