N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide

C22H21NO5 — CID 33078382

IUPACN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2cc(=O)c3ccccc3o2)C2CC2)c1
InChIInChI=1S/C22H21NO5/c1-26-16-9-10-19(27-2)14(11-16)13-23(15-7-8-15)22(25)21-12-18(24)17-5-3-4-6-20(17)28-21/h3-6,9-12,15H,7-8,13H2,1-2H3
InChIKeyNXMNEIWNXUPOPV-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.62
Rot. Bonds6

About N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide (PubChem CID 33078382) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide
PubChem CID33078382
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2cc(=O)c3ccccc3o2)C2CC2)c1
InChIInChI=1S/C22H21NO5/c1-26-16-9-10-19(27-2)14(11-16)13-23(15-7-8-15)22(25)21-12-18(24)17-5-3-4-6-20(17)28-21/h3-6,9-12,15H,7-8,13H2,1-2H3
InChIKeyNXMNEIWNXUPOPV-UHFFFAOYSA-N
XLogP3.62
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 33082416
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 33078983
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzamide
CID 47024721
(2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119286967
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-ethoxyphenyl)methyl]-4-oxochromene-2-carboxamide
CID 26818977
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide
CID 120560197
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 33078129
N-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide
CID 47064295
(E)-3-(1,3-benzoxazol-2-yl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]prop-2-enamide
CID 33080925
N-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide
CID 66181389

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide (CID 33078382) is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide is COc1ccc(OC)c(CN(C(=O)c2cc(=O)c3ccccc3o2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide?
The InChIKey is NXMNEIWNXUPOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-26-16-9-10-19(27-2)14(11-16)13-23(15-7-8-15)22(25)21-12-18(24)17-5-3-4-6-20(17)28-21/h3-6,9-12,15H,7-8,13H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide?
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 33078382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).