methyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate

C14H14N2O6 — CID 59445812

IUPACmethyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate
SMILESCOC(=O)NCNC(=O)Cc1cc(=O)oc2cc(O)ccc12
InChIInChI=1S/C14H14N2O6/c1-21-14(20)16-7-15-12(18)4-8-5-13(19)22-11-6-9(17)2-3-10(8)11/h2-3,5-6,17H,4,7H2,1H3,(H,15,18)(H,16,20)
InChIKeyLUTUJRCTQJAOFA-UHFFFAOYSA-N
MW306.27 g/mol
LogP0.47
Rot. Bonds4

About methyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate

methyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate (PubChem CID 59445812) has the molecular formula C14H14N2O6 and a molecular weight of 306.27 g/mol. Its IUPAC name is methyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate
PubChem CID59445812
Molecular FormulaC14H14N2O6
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC Namemethyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate
SMILESCOC(=O)NCNC(=O)Cc1cc(=O)oc2cc(O)ccc12
InChIInChI=1S/C14H14N2O6/c1-21-14(20)16-7-15-12(18)4-8-5-13(19)22-11-6-9(17)2-3-10(8)11/h2-3,5-6,17H,4,7H2,1H3,(H,15,18)(H,16,20)
InChIKeyLUTUJRCTQJAOFA-UHFFFAOYSA-N
XLogP0.47
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]ethyl]carbamate
CID 86625974
methyl 2-(7-hydroxy-2-oxochromen-4-yl)acetate
CID 5395514
2-(7-hydroxy-2-oxochromen-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]ethyl]acetamide
CID 87635198
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 5-(7-hydroxy-2-oxochromen-4-yl)-4-oxopentanoate
CID 158000063
(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
4-(bromomethyl)-7-hydroxychromen-2-one
CID 5465897
3-[(7-hydroxy-2-oxochromen-4-yl)methyl-methylamino]propanoic acid
CID 60987026
3-[(7-hydroxy-2-oxochromen-4-yl)methylamino]propanoic acid
CID 43466420

Frequently Asked Questions

What is the IUPAC name of methyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate?
The IUPAC name of methyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate (CID 59445812) is methyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate.
What is the SMILES notation for methyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate?
The canonical SMILES for methyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate is COC(=O)NCNC(=O)Cc1cc(=O)oc2cc(O)ccc12.
What is the InChIKey of methyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate?
The InChIKey is LUTUJRCTQJAOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6/c1-21-14(20)16-7-15-12(18)4-8-5-13(19)22-11-6-9(17)2-3-10(8)11/h2-3,5-6,17H,4,7H2,1H3,(H,15,18)(H,16,20).
What are the key properties of methyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate?
methyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate has a molecular weight of 306.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate is sourced from PubChem (CID 59445812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).