(3R)-6-(pentanoylamino)-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide

C25H32N2O3 — CID 95091266

IUPAC(3R)-6-(pentanoylamino)-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCCCC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)CO2
InChIInChI=1S/C25H32N2O3/c1-3-4-10-24(28)27-22-13-14-23-20(16-22)15-21(17-30-23)25(29)26-18(2)11-12-19-8-6-5-7-9-19/h5-9,13-14,16,18,21H,3-4,10-12,15,17H2,1-2H3,(H,26,29)(H,27,28)/t18-,21+/m0/s1
InChIKeyNSFYNDPOGDFSOG-GHTZIAJQSA-N
MW408.54 g/mol
LogP4.50
Rot. Bonds9

About (3R)-6-(pentanoylamino)-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-6-(pentanoylamino)-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 95091266) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is (3R)-6-(pentanoylamino)-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-6-(pentanoylamino)-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID95091266
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name(3R)-6-(pentanoylamino)-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCCCC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)CO2
InChIInChI=1S/C25H32N2O3/c1-3-4-10-24(28)27-22-13-14-23-20(16-22)15-21(17-30-23)25(29)26-18(2)11-12-19-8-6-5-7-9-19/h5-9,13-14,16,18,21H,3-4,10-12,15,17H2,1-2H3,(H,26,29)(H,27,28)/t18-,21+/m0/s1
InChIKeyNSFYNDPOGDFSOG-GHTZIAJQSA-N
XLogP4.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-6-(pentanoylamino)-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

(3S)-6-(pentanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091271
(3R)-6-[(2-fluorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091150
(3R)-6-[(3-methylbenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091216
(3R)-6-[(3-chlorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091496
(3S)-6-[(3-chlorobenzoyl)amino]-N-[(2R)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091499
(3R)-N-[(4-methylphenyl)methyl]-6-(pentanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091270
(3S)-N-[(4-methylphenyl)methyl]-6-(pentanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091269
(3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091355
methyl 2-[[(3R)-6-(butanoylamino)-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetate
CID 95091078
(3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091374
(3R)-6-(3-methylbutanoylamino)-N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091285
N-[(4-methylphenyl)methyl]-6-(propanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123403

Frequently Asked Questions

What is the IUPAC name of (3R)-6-(pentanoylamino)-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-6-(pentanoylamino)-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 95091266) is (3R)-6-(pentanoylamino)-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-6-(pentanoylamino)-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-6-(pentanoylamino)-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide is CCCCC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)CO2.
What is the InChIKey of (3R)-6-(pentanoylamino)-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is NSFYNDPOGDFSOG-GHTZIAJQSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-3-4-10-24(28)27-22-13-14-23-20(16-22)15-21(17-30-23)25(29)26-18(2)11-12-19-8-6-5-7-9-19/h5-9,13-14,16,18,21H,3-4,10-12,15,17H2,1-2H3,(H,26,29)(H,27,28)/t18-,21+/m0/s1.
What are the key properties of (3R)-6-(pentanoylamino)-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-6-(pentanoylamino)-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-(pentanoylamino)-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 95091266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).