(3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide

C24H30N2O3 — CID 95091355

IUPAC(3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCCc1ccccc1)CO2
InChIInChI=1S/C24H30N2O3/c1-24(2,3)23(28)26-20-11-12-21-18(15-20)14-19(16-29-21)22(27)25-13-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-12,15,19H,7,10,13-14,16H2,1-3H3,(H,25,27)(H,26,28)/t19-/m1/s1
InChIKeyDLRNBCDQIYOSHA-LJQANCHMSA-N
MW394.52 g/mol
LogP3.97
Rot. Bonds6

About (3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 95091355) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID95091355
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name(3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCCc1ccccc1)CO2
InChIInChI=1S/C24H30N2O3/c1-24(2,3)23(28)26-20-11-12-21-18(15-20)14-19(16-29-21)22(27)25-13-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-12,15,19H,7,10,13-14,16H2,1-3H3,(H,25,27)(H,26,28)/t19-/m1/s1
InChIKeyDLRNBCDQIYOSHA-LJQANCHMSA-N
XLogP3.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-6-(pentanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091271
(3S)-6-[(4-fluorobenzoyl)amino]-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091127
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
N-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123408
(3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091374
(3R)-6-(pentanoylamino)-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091266
(3S)-N-(3-methoxypropyl)-6-[(4-methylbenzoyl)amino]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091055
(3S)-N-(2-methoxyethyl)-6-(2-methylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091237
(3R)-6-[(2-fluorobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091150
4-(3,4-dihydro-2H-chromene-3-carbonylamino)butanoic acid
CID 43241764
6-acetamido-N-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123420
(3R)-6-[(3-methylbenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091216

Frequently Asked Questions

What is the IUPAC name of (3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 95091355) is (3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide is CC(C)(C)C(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCCc1ccccc1)CO2.
What is the InChIKey of (3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is DLRNBCDQIYOSHA-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-24(2,3)23(28)26-20-11-12-21-18(15-20)14-19(16-29-21)22(27)25-13-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-12,15,19H,7,10,13-14,16H2,1-3H3,(H,25,27)(H,26,28)/t19-/m1/s1.
What are the key properties of (3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 95091355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).