N-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide

C17H22N2O3 — CID 119572685

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NC(C)(CN)C1CC1)=C2
InChIInChI=1S/C17H22N2O3/c1-17(10-18,13-6-7-13)19-16(20)12-8-11-4-3-5-14(21-2)15(11)22-9-12/h3-5,8,13H,6-7,9-10,18H2,1-2H3,(H,19,20)
InChIKeyKHXGKDGLCYGJON-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.71
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide (PubChem CID 119572685) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide
PubChem CID119572685
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NC(C)(CN)C1CC1)=C2
InChIInChI=1S/C17H22N2O3/c1-17(10-18,13-6-7-13)19-16(20)12-8-11-4-3-5-14(21-2)15(11)22-9-12/h3-5,8,13H,6-7,9-10,18H2,1-2H3,(H,19,20)
InChIKeyKHXGKDGLCYGJON-UHFFFAOYSA-N
XLogP1.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119605897
N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119569054
N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
CID 22578405
N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119565259
8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride
CID 119500438
8-methoxy-2H-chromene-3-carboxylate
CID 6933959
N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119495370
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,6-dimethoxyphenyl)acetamide;hydrochloride
CID 119574609
8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide
CID 119533955
8-methoxy-N-(2-methylpiperidin-4-yl)-2H-chromene-3-carboxamide
CID 120601576
3-ethoxy-1-[(8-methoxy-2H-chromene-3-carbonyl)amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699808
N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide
CID 119575042

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide (CID 119572685) is N-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide is COc1cccc2c1OCC(C(=O)NC(C)(CN)C1CC1)=C2.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide?
The InChIKey is KHXGKDGLCYGJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(10-18,13-6-7-13)19-16(20)12-8-11-4-3-5-14(21-2)15(11)22-9-12/h3-5,8,13H,6-7,9-10,18H2,1-2H3,(H,19,20).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 119572685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).