N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide

C23H26N2O3 — CID 45155049

IUPACN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1ccc(C(CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N(C)C)cc1
InChIInChI=1S/C23H26N2O3/c1-14-6-9-17(10-7-14)19(25(4)5)13-24-23(27)21-12-20(26)18-11-8-15(2)16(3)22(18)28-21/h6-12,19H,13H2,1-5H3,(H,24,27)
InChIKeyZTZDRKIOZRATQS-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.75
Rot. Bonds5

About N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide (PubChem CID 45155049) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
PubChem CID45155049
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
SMILESCc1ccc(C(CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N(C)C)cc1
InChIInChI=1S/C23H26N2O3/c1-14-6-9-17(10-7-14)19(25(4)5)13-24-23(27)21-12-20(26)18-11-8-15(2)16(3)22(18)28-21/h6-12,19H,13H2,1-5H3,(H,24,27)
InChIKeyZTZDRKIOZRATQS-UHFFFAOYSA-N
XLogP3.75
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
CID 35576650
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
CID 26834943
6-bromo-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 45155004
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 35575343
N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
CID 35576257
7-bromo-N-[(2S)-2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-4-oxochromene-2-carboxamide
CID 35575481
6-bromo-N-[(2R)-2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-4-oxochromene-2-carboxamide
CID 35575980
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide
CID 35575488
5-chloro-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35576709
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35577324
N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52988413
1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea
CID 94214383

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide (CID 45155049) is N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide is Cc1ccc(C(CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide?
The InChIKey is ZTZDRKIOZRATQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-14-6-9-17(10-7-14)19(25(4)5)13-24-23(27)21-12-20(26)18-11-8-15(2)16(3)22(18)28-21/h6-12,19H,13H2,1-5H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide?
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 45155049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).