N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide

C18H23N3O4 — CID 118788171

IUPACN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
SMILESCOc1ccc2c(c1)OC(C)(C)CC2NC(=O)Cc1c(C)[nH][nH]c1=O
InChIInChI=1S/C18H23N3O4/c1-10-13(17(23)21-20-10)8-16(22)19-14-9-18(2,3)25-15-7-11(24-4)5-6-12(14)15/h5-7,14H,8-9H2,1-4H3,(H,19,22)(H2,20,21,23)
InChIKeyGKWZMXZPTMRXIZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.98
Rot. Bonds4

About N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide

N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide (PubChem CID 118788171) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
PubChem CID118788171
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
SMILESCOc1ccc2c(c1)OC(C)(C)CC2NC(=O)Cc1c(C)[nH][nH]c1=O
InChIInChI=1S/C18H23N3O4/c1-10-13(17(23)21-20-10)8-16(22)19-14-9-18(2,3)25-15-7-11(24-4)5-6-12(14)15/h5-7,14H,8-9H2,1-4H3,(H,19,22)(H2,20,21,23)
InChIKeyGKWZMXZPTMRXIZ-UHFFFAOYSA-N
XLogP1.98
TPSA96.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637111
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-methylphenoxy)acetamide
CID 99993371
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(4-methoxyphenoxy)butanamide
CID 132661086
2-(4-bromophenoxy)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132666161
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 118780187
3-(2,6-dichlorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100603694
2-(5-amino-3-methylpyrazol-1-yl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 95189399
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]butanamide
CID 100735613
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(N-methylsulfonylanilino)butanamide
CID 132673857
3-(2,4-dichlorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100608648
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 133210399
4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide
CID 133202467

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
The IUPAC name of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide (CID 118788171) is N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide.
What is the SMILES notation for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
The canonical SMILES for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide is COc1ccc2c(c1)OC(C)(C)CC2NC(=O)Cc1c(C)[nH][nH]c1=O.
What is the InChIKey of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
The InChIKey is GKWZMXZPTMRXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-10-13(17(23)21-20-10)8-16(22)19-14-9-18(2,3)25-15-7-11(24-4)5-6-12(14)15/h5-7,14H,8-9H2,1-4H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide is sourced from PubChem (CID 118788171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).