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

C22H32N2O3 — CID 53123408

IUPACN-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc2c(c1)CC(C(=O)NC1CCCCCC1)CO2
InChIInChI=1S/C22H32N2O3/c1-22(2,3)21(26)24-18-10-11-19-15(13-18)12-16(14-27-19)20(25)23-17-8-6-4-5-7-9-17/h10-11,13,16-17H,4-9,12,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyNSKKESSNZYVADT-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.06
Rot. Bonds3

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

N-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 53123408) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID53123408
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC NameN-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc2c(c1)CC(C(=O)NC1CCCCCC1)CO2
InChIInChI=1S/C22H32N2O3/c1-22(2,3)21(26)24-18-10-11-19-15(13-18)12-16(14-27-19)20(25)23-17-8-6-4-5-7-9-17/h10-11,13,16-17H,4-9,12,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyNSKKESSNZYVADT-UHFFFAOYSA-N
XLogP4.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzamido-N-cycloheptyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123430
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
(3S)-6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 92880603
6-(cyclohexylcarbamoylamino)-N-prop-2-enyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 46379866
(3R)-6-[(4-chlorobenzoyl)amino]-N-cyclopropyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091533
(3R)-6-(2,2-dimethylpropanoylamino)-N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091355
(3R)-6-[(4-chlorobenzoyl)amino]-N-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091522
N-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 63850228
N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide
CID 108966151
(3S)-N-(cyclohexylmethyl)-6-(2-methylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091251
(3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 92728911

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide (CID 53123408) is N-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide is CC(C)(C)C(=O)Nc1ccc2c(c1)CC(C(=O)NC1CCCCCC1)CO2.
What is the InChIKey of N-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is NSKKESSNZYVADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-22(2,3)21(26)24-18-10-11-19-15(13-18)12-16(14-27-19)20(25)23-17-8-6-4-5-7-9-17/h10-11,13,16-17H,4-9,12,14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide?
N-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-(2,2-dimethylpropanoylamino)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 53123408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).