2-(7-hydroxy-2-oxochromen-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]ethyl]acetamide

C17H22N2O5 — CID 87635198

IUPAC2-(7-hydroxy-2-oxochromen-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]ethyl]acetamide
SMILESCC(C)(C)ONCCNC(=O)Cc1cc(=O)oc2cc(O)ccc12
InChIInChI=1S/C17H22N2O5/c1-17(2,3)24-19-7-6-18-15(21)8-11-9-16(22)23-14-10-12(20)4-5-13(11)14/h4-5,9-10,19-20H,6-8H2,1-3H3,(H,18,21)
InChIKeyLPFANCVOWHDOFB-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.48
Rot. Bonds6

About 2-(7-hydroxy-2-oxochromen-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]ethyl]acetamide

2-(7-hydroxy-2-oxochromen-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]ethyl]acetamide (PubChem CID 87635198) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-(7-hydroxy-2-oxochromen-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]ethyl]acetamide.

Molecular Properties

Compound Name2-(7-hydroxy-2-oxochromen-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]ethyl]acetamide
PubChem CID87635198
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-(7-hydroxy-2-oxochromen-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]ethyl]acetamide
SMILESCC(C)(C)ONCCNC(=O)Cc1cc(=O)oc2cc(O)ccc12
InChIInChI=1S/C17H22N2O5/c1-17(2,3)24-19-7-6-18-15(21)8-11-9-16(22)23-14-10-12(20)4-5-13(11)14/h4-5,9-10,19-20H,6-8H2,1-3H3,(H,18,21)
InChIKeyLPFANCVOWHDOFB-UHFFFAOYSA-N
XLogP1.48
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]ethyl]carbamate
CID 86625974
3-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]propanoate
CID 6954108
5-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]pentylcarbamic acid
CID 87148125
methyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate
CID 59445812
methyl 2-(7-hydroxy-2-oxochromen-4-yl)acetate
CID 5395514
methyl 5-(7-hydroxy-2-oxochromen-4-yl)-4-oxopentanoate
CID 158000063
N-tert-butyl-2-[(7-hydroxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 8767253
4-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-N-[(3S)-2-oxooxolan-3-yl]butanamide
CID 164887624
3-[(7-hydroxy-2-oxochromen-4-yl)methylamino]propanoic acid
CID 43466420
(2S)-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]hexanoic acid
CID 6351511
(2S)-2-[(7-hydroxy-2-oxochromen-4-yl)methylamino]propanoic acid
CID 83193373
(2R)-2-[(7-hydroxy-2-oxochromen-4-yl)methylamino]propanoic acid
CID 83195243

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-2-oxochromen-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]ethyl]acetamide?
The IUPAC name of 2-(7-hydroxy-2-oxochromen-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]ethyl]acetamide (CID 87635198) is 2-(7-hydroxy-2-oxochromen-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]ethyl]acetamide.
What is the SMILES notation for 2-(7-hydroxy-2-oxochromen-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]ethyl]acetamide?
The canonical SMILES for 2-(7-hydroxy-2-oxochromen-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]ethyl]acetamide is CC(C)(C)ONCCNC(=O)Cc1cc(=O)oc2cc(O)ccc12.
What is the InChIKey of 2-(7-hydroxy-2-oxochromen-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]ethyl]acetamide?
The InChIKey is LPFANCVOWHDOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-17(2,3)24-19-7-6-18-15(21)8-11-9-16(22)23-14-10-12(20)4-5-13(11)14/h4-5,9-10,19-20H,6-8H2,1-3H3,(H,18,21).
What are the key properties of 2-(7-hydroxy-2-oxochromen-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]ethyl]acetamide?
2-(7-hydroxy-2-oxochromen-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]ethyl]acetamide has a molecular weight of 334.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-2-oxochromen-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]ethyl]acetamide is sourced from PubChem (CID 87635198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).