1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C18H21NO5 — CID 119113812

IUPAC1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1cccc2c1OCC(C(=O)NC1(C(=O)O)CCCCC1)=C2
InChIInChI=1S/C18H21NO5/c1-23-14-7-5-6-12-10-13(11-24-15(12)14)16(20)19-18(17(21)22)8-3-2-4-9-18/h5-7,10H,2-4,8-9,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyDDDVDLRIMNFGAL-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.37
Rot. Bonds4

About 1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119113812) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119113812
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1cccc2c1OCC(C(=O)NC1(C(=O)O)CCCCC1)=C2
InChIInChI=1S/C18H21NO5/c1-23-14-7-5-6-12-10-13(11-24-15(12)14)16(20)19-18(17(21)22)8-3-2-4-9-18/h5-7,10H,2-4,8-9,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyDDDVDLRIMNFGAL-UHFFFAOYSA-N
XLogP2.37
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 119217095
N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119565259
8-methoxy-2H-chromene-3-carboxylate
CID 6933959
N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
CID 22578405
8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride
CID 119500438
N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119569054
1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 65433406
N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119495370
(E)-2-[(8-methoxy-2H-chromene-3-carbonyl)amino]hex-4-enoic acid
CID 120693211
benzyl 8-methoxy-2H-chromene-3-carboxylate
CID 1475910
N-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119605897
N-[2-(ethylaminomethyl)phenyl]-8-methoxy-2H-chromene-3-carboxamide
CID 119438960

Frequently Asked Questions

What is the IUPAC name of 1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 119113812) is 1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid is COc1cccc2c1OCC(C(=O)NC1(C(=O)O)CCCCC1)=C2.
What is the InChIKey of 1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DDDVDLRIMNFGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-23-14-7-5-6-12-10-13(11-24-15(12)14)16(20)19-18(17(21)22)8-3-2-4-9-18/h5-7,10H,2-4,8-9,11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119113812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).