N-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide

C20H20N2O3 — CID 9053294

IUPACN-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide
SMILESCN(CC(=O)NC1CC1)Cc1cc(=O)oc2ccc3ccccc3c12
InChIInChI=1S/C20H20N2O3/c1-22(12-18(23)21-15-7-8-15)11-14-10-19(24)25-17-9-6-13-4-2-3-5-16(13)20(14)17/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,21,23)
InChIKeySWYGELTWDWHXSQ-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.66
Rot. Bonds5

About N-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide

N-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide (PubChem CID 9053294) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide
PubChem CID9053294
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide
SMILESCN(CC(=O)NC1CC1)Cc1cc(=O)oc2ccc3ccccc3c12
InChIInChI=1S/C20H20N2O3/c1-22(12-18(23)21-15-7-8-15)11-14-10-19(24)25-17-9-6-13-4-2-3-5-16(13)20(14)17/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,21,23)
InChIKeySWYGELTWDWHXSQ-UHFFFAOYSA-N
XLogP2.66
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9053292
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide
CID 8910060
3-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]propanenitrile
CID 2020836
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 43575631
1-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]benzo[f]chromen-3-one
CID 9433999
(3-oxobenzo[f]chromen-1-yl)methyl 4-tert-butylcyclohexane-1-carboxylate
CID 5140670
1-[[3-(dimethylamino)propylamino]methyl]benzo[f]chromen-3-one
CID 4858068
1-(pyrrolidin-1-ium-1-ylmethyl)benzo[f]chromen-3-one
CID 8901538
1-(cyclopentylsulfanylmethyl)benzo[f]chromen-3-one
CID 4821582
N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide
CID 106993665
2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 60508730
(3-oxobenzo[f]chromen-1-yl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679378

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide (CID 9053294) is N-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide is CN(CC(=O)NC1CC1)Cc1cc(=O)oc2ccc3ccccc3c12.
What is the InChIKey of N-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide?
The InChIKey is SWYGELTWDWHXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-22(12-18(23)21-15-7-8-15)11-14-10-19(24)25-17-9-6-13-4-2-3-5-16(13)20(14)17/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,21,23).
What are the key properties of N-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide?
N-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]acetamide is sourced from PubChem (CID 9053294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).