N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide

C24H27ClN2O3 — CID 35574710

IUPACN-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)c1cc(=O)c2cc(C)cc(C)c2o1)c1ccccc1Cl
InChIInChI=1S/C24H27ClN2O3/c1-5-27(6-2)20(17-9-7-8-10-19(17)25)14-26-24(29)22-13-21(28)18-12-15(3)11-16(4)23(18)30-22/h7-13,20H,5-6,14H2,1-4H3,(H,26,29)/t20-/m0/s1
InChIKeyVLZKSTRMQGXIIP-FQEVSTJZSA-N
MW426.94 g/mol
LogP4.88
Rot. Bonds7

About N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide

N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide (PubChem CID 35574710) has the molecular formula C24H27ClN2O3 and a molecular weight of 426.94 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
PubChem CID35574710
Molecular FormulaC24H27ClN2O3
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)c1cc(=O)c2cc(C)cc(C)c2o1)c1ccccc1Cl
InChIInChI=1S/C24H27ClN2O3/c1-5-27(6-2)20(17-9-7-8-10-19(17)25)14-26-24(29)22-13-21(28)18-12-15(3)11-16(4)23(18)30-22/h7-13,20H,5-6,14H2,1-4H3,(H,26,29)/t20-/m0/s1
InChIKeyVLZKSTRMQGXIIP-FQEVSTJZSA-N
XLogP4.88
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.94
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 43843789
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 35574690
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46522526
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
3-chloro-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]benzamide
CID 18280256
6,8-dimethyl-4-oxo-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide;hydrochloride
CID 52988443
N-[5-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 46522510
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylthiadiazole-5-carboxamide
CID 26834158
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide;hydrochloride
CID 146052473
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]pyrazine-2-carboxamide
CID 30524608
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybenzamide
CID 42279457
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide
CID 18161543

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide (CID 35574710) is N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide is CCN(CC)[C@@H](CNC(=O)c1cc(=O)c2cc(C)cc(C)c2o1)c1ccccc1Cl.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?
The InChIKey is VLZKSTRMQGXIIP-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27ClN2O3/c1-5-27(6-2)20(17-9-7-8-10-19(17)25)14-26-24(29)22-13-21(28)18-12-15(3)11-16(4)23(18)30-22/h7-13,20H,5-6,14H2,1-4H3,(H,26,29)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide has a molecular weight of 426.94 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 35574710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).