propan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate

C22H28N2O4 — CID 130389284

IUPACpropan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
SMILESCC(C)CCCOc1ccc2c(c1)OCc1cnc(NC(=O)OC(C)C)cc1-2
InChIInChI=1S/C22H28N2O4/c1-14(2)6-5-9-26-17-7-8-18-19-11-21(24-22(25)28-15(3)4)23-12-16(19)13-27-20(18)10-17/h7-8,10-12,14-15H,5-6,9,13H2,1-4H3,(H,23,24,25)
InChIKeyGVTDAMLVSMTTEZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.41
Rot. Bonds7

About propan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate

propan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate (PubChem CID 130389284) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is propan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
PubChem CID130389284
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Namepropan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
SMILESCC(C)CCCOc1ccc2c(c1)OCc1cnc(NC(=O)OC(C)C)cc1-2
InChIInChI=1S/C22H28N2O4/c1-14(2)6-5-9-26-17-7-8-18-19-11-21(24-22(25)28-15(3)4)23-12-16(19)13-27-20(18)10-17/h7-8,10-12,14-15H,5-6,9,13H2,1-4H3,(H,23,24,25)
InChIKeyGVTDAMLVSMTTEZ-UHFFFAOYSA-N
XLogP5.41
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze propan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]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

8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-amine
CID 130389266
N-[9-chloro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide
CID 151770531
N-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide
CID 144806665
methyl N-[8-[(2S)-2-amino-4-methylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate
CID 134530895
N-[8-(2-amino-1,1-dihydroxy-2,4-dimethylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]formamide;ethane
CID 144806662
N-methyl-3-[[3-[3-(methylamino)propoxy]-6H-benzo[c]chromen-8-yl]oxy]propan-1-amine
CID 91401843
methyl N-[8-[(2S)-2-amino-2,4-dimethylpentoxy]-9-fluoro-5H-chromeno[3,4-c]pyridin-2-yl]carbamate
CID 122449352
methyl N-[8-[2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]carbamate
CID 134530901
N-[8-(2-amino-2,4-dimethylpentoxy)-6H-isochromeno[3,4-c]pyridin-2-yl]acetamide
CID 134324046
N-[8-[(2R)-2-amino-2,4-dimethylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]acetamide
CID 134520651
N-[8-[(2S)-2-amino-2,4-dimethylpentoxy]-6H-isochromeno[3,4-c]pyridin-2-yl]acetamide
CID 134520625
[8-(2-amino-2,4-dimethylpentoxy)-6H-isochromeno[3,4-c]pyridin-2-yl]carbamic acid
CID 134324061

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate (CID 130389284) is propan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate is CC(C)CCCOc1ccc2c(c1)OCc1cnc(NC(=O)OC(C)C)cc1-2.
What is the InChIKey of propan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate?
The InChIKey is GVTDAMLVSMTTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14(2)6-5-9-26-17-7-8-18-19-11-21(24-22(25)28-15(3)4)23-12-16(19)13-27-20(18)10-17/h7-8,10-12,14-15H,5-6,9,13H2,1-4H3,(H,23,24,25).
What are the key properties of propan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate?
propan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate has a molecular weight of 384.48 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 130389284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).