N-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide

C24H27NO3 — CID 91451229

IUPACN-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)Nc1ccc(CC3CCCCC3)cc1)=C2
InChIInChI=1S/C24H27NO3/c1-27-22-12-9-19-14-20(16-28-23(19)15-22)24(26)25-21-10-7-18(8-11-21)13-17-5-3-2-4-6-17/h7-12,14-15,17H,2-6,13,16H2,1H3,(H,25,26)
InChIKeyIVPXUFWAHPNFJJ-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.23
Rot. Bonds5

About N-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide

N-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide (PubChem CID 91451229) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide
PubChem CID91451229
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC NameN-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)Nc1ccc(CC3CCCCC3)cc1)=C2
InChIInChI=1S/C24H27NO3/c1-27-22-12-9-19-14-20(16-28-23(19)15-22)24(26)25-21-10-7-18(8-11-21)13-17-5-3-2-4-6-17/h7-12,14-15,17H,2-6,13,16H2,1H3,(H,25,26)
InChIKeyIVPXUFWAHPNFJJ-UHFFFAOYSA-N
XLogP5.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide
CID 86878702
cyclohexyl-dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]azanium
CID 25270878
N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
CID 46488602
cyclohexyl-[[4-[(6,8-dichloro-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium;cyclohexyl-[[4-[(6-methoxy-2H-chromene-3-carbonyl)amino]phenyl]methyl]-dimethylazanium;dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]-(oxan-4-yl)azanium
CID 160524959
N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 1478813
6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride
CID 119461393
N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
CID 46484911
N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide
CID 119602105
N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide
CID 26782775
N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide
CID 9456326
N-(4-acetylphenyl)-2H-chromene-3-carboxamide
CID 9042646
6-methoxy-N-(2-methylpiperidin-3-yl)-2H-chromene-3-carboxamide
CID 120574761

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide (CID 91451229) is N-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide is COc1ccc2c(c1)OCC(C(=O)Nc1ccc(CC3CCCCC3)cc1)=C2.
What is the InChIKey of N-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide?
The InChIKey is IVPXUFWAHPNFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-27-22-12-9-19-14-20(16-28-23(19)15-22)24(26)25-21-10-7-18(8-11-21)13-17-5-3-2-4-6-17/h7-12,14-15,17H,2-6,13,16H2,1H3,(H,25,26).
What are the key properties of N-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide?
N-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide has a molecular weight of 377.48 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 91451229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).