N-[4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-2-oxochromen-7-yl]acetamide

C19H24N2O4 — CID 109397728

IUPACN-[4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-2-oxochromen-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(CN(C)CC3CCCC3O)cc(=O)oc2c1
InChIInChI=1S/C19H24N2O4/c1-12(22)20-15-6-7-16-14(8-19(24)25-18(16)9-15)11-21(2)10-13-4-3-5-17(13)23/h6-9,13,17,23H,3-5,10-11H2,1-2H3,(H,20,22)
InChIKeyKHSPEFSEHOCUSN-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.34
Rot. Bonds5

About N-[4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-2-oxochromen-7-yl]acetamide

N-[4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-2-oxochromen-7-yl]acetamide (PubChem CID 109397728) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-2-oxochromen-7-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-2-oxochromen-7-yl]acetamide
PubChem CID109397728
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-2-oxochromen-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(CN(C)CC3CCCC3O)cc(=O)oc2c1
InChIInChI=1S/C19H24N2O4/c1-12(22)20-15-6-7-16-14(8-19(24)25-18(16)9-15)11-21(2)10-13-4-3-5-17(13)23/h6-9,13,17,23H,3-5,10-11H2,1-2H3,(H,20,22)
InChIKeyKHSPEFSEHOCUSN-UHFFFAOYSA-N
XLogP2.34
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-6,7-dimethylchromen-2-one
CID 109397687
2-[(7-acetamido-2-oxochromen-4-yl)methyl-butylamino]acetamide
CID 87016917
(7-acetamido-2-oxochromen-4-yl)methyl 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 98412806
N-[4-[[benzyl(prop-2-enyl)amino]methyl]-2-oxochromen-7-yl]acetamide
CID 35164721
4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one
CID 139011442
N-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxochromen-7-yl]acetamide
CID 16580552
N-[4-[(3-butyl-2,4,5-trioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide
CID 2570750
N-[4-[[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]-2-oxochromen-7-yl]acetamide
CID 55537984
N-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide
CID 55354601
N-[2-oxo-4-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-7-yl]acetamide
CID 16570793
3-[(7-hydroxy-2-oxochromen-4-yl)methyl-methylamino]propanoic acid
CID 60987026
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-2-oxochromen-7-yl]acetamide?
The IUPAC name of N-[4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-2-oxochromen-7-yl]acetamide (CID 109397728) is N-[4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-2-oxochromen-7-yl]acetamide.
What is the SMILES notation for N-[4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-2-oxochromen-7-yl]acetamide?
The canonical SMILES for N-[4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-2-oxochromen-7-yl]acetamide is CC(=O)Nc1ccc2c(CN(C)CC3CCCC3O)cc(=O)oc2c1.
What is the InChIKey of N-[4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-2-oxochromen-7-yl]acetamide?
The InChIKey is KHSPEFSEHOCUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12(22)20-15-6-7-16-14(8-19(24)25-18(16)9-15)11-21(2)10-13-4-3-5-17(13)23/h6-9,13,17,23H,3-5,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-2-oxochromen-7-yl]acetamide?
N-[4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-2-oxochromen-7-yl]acetamide has a molecular weight of 344.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-2-oxochromen-7-yl]acetamide is sourced from PubChem (CID 109397728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).