N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide

C15H18N2O4 — CID 119996034

IUPACN-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCC(CN)CNC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C15H18N2O4/c1-10(7-16)8-17-14(18)9-20-12-4-2-11-3-5-15(19)21-13(11)6-12/h2-6,10H,7-9,16H2,1H3,(H,17,18)
InChIKeyRZHYROSICYPWTE-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.88
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide

N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 119996034) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID119996034
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCC(CN)CNC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C15H18N2O4/c1-10(7-16)8-17-14(18)9-20-12-4-2-11-3-5-15(19)21-13(11)6-12/h2-6,10H,7-9,16H2,1H3,(H,17,18)
InChIKeyRZHYROSICYPWTE-UHFFFAOYSA-N
XLogP0.88
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.88
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

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 119526601
N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 119996539
N-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882786
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
methyl (2S)-4-methyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]pentanoate
CID 8882388
N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 46510251
3-(4-chlorophenyl)-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]butanoic acid
CID 74324640
(3R)-3-(4-chlorophenyl)-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]butanoic acid
CID 24816576
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 55550585
N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide
CID 119998062
N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882715
N-[6-hydrazinyl-6-oxo-5-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]hexyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 102106076

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide (CID 119996034) is N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide is CC(CN)CNC(=O)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is RZHYROSICYPWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(7-16)8-17-14(18)9-20-12-4-2-11-3-5-15(19)21-13(11)6-12/h2-6,10H,7-9,16H2,1H3,(H,17,18).
What are the key properties of N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide?
N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 290.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 119996034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).