6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide

C24H28N2O3 — CID 53123430

IUPAC6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CC(C(=O)NC1CCCCCC1)CO2)c1ccccc1
InChIInChI=1S/C24H28N2O3/c27-23(17-8-4-3-5-9-17)26-21-12-13-22-18(15-21)14-19(16-29-22)24(28)25-20-10-6-1-2-7-11-20/h3-5,8-9,12-13,15,19-20H,1-2,6-7,10-11,14,16H2,(H,25,28)(H,26,27)
InChIKeyDWPHZBBILQYCFX-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.33
Rot. Bonds4

About 6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide

6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 53123430) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID53123430
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CC(C(=O)NC1CCCCCC1)CO2)c1ccccc1
InChIInChI=1S/C24H28N2O3/c27-23(17-8-4-3-5-9-17)26-21-12-13-22-18(15-21)14-19(16-29-22)24(28)25-20-10-6-1-2-7-11-20/h3-5,8-9,12-13,15,19-20H,1-2,6-7,10-11,14,16H2,(H,25,28)(H,26,27)
InChIKeyDWPHZBBILQYCFX-UHFFFAOYSA-N
XLogP4.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123481
(3S)-6-[(3-chlorobenzoyl)amino]-N-cyclopentyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091482
(3R)-6-[(4-chlorobenzoyl)amino]-N-cyclopropyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091533
N-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123408
(3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091522
(3R)-6-benzamido-N-(3-methylbutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091374
6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 46379866
(3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 92880603
(3S)-6-[(4-fluorobenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091102
(3S)-6-[(4-bromobenzoyl)amino]-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091417
(3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091455
(3S)-6-[(4-fluorobenzoyl)amino]-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091127

Frequently Asked Questions

What is the IUPAC name of 6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 53123430) is 6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc2c(c1)CC(C(=O)NC1CCCCCC1)CO2)c1ccccc1.
What is the InChIKey of 6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is DWPHZBBILQYCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-23(17-8-4-3-5-9-17)26-21-12-13-22-18(15-21)14-19(16-29-22)24(28)25-20-10-6-1-2-7-11-20/h3-5,8-9,12-13,15,19-20H,1-2,6-7,10-11,14,16H2,(H,25,28)(H,26,27).
What are the key properties of 6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide?
6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 53123430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).