ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate

C19H24N2O5 — CID 55654736

IUPACethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1cc(=O)c2ccccc2o1)CC(C)C
InChIInChI=1S/C19H24N2O5/c1-4-25-19(24)21-13(9-12(2)3)11-20-18(23)17-10-15(22)14-7-5-6-8-16(14)26-17/h5-8,10,12-13H,4,9,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyOTCQAVRGQLHDKG-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.68
Rot. Bonds7

About ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate

ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate (PubChem CID 55654736) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate
PubChem CID55654736
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Nameethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1cc(=O)c2ccccc2o1)CC(C)C
InChIInChI=1S/C19H24N2O5/c1-4-25-19(24)21-13(9-12(2)3)11-20-18(23)17-10-15(22)14-7-5-6-8-16(14)26-17/h5-8,10,12-13H,4,9,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyOTCQAVRGQLHDKG-UHFFFAOYSA-N
XLogP2.68
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide
CID 61246614
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
ethyl N-[(2S)-1-[(2-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929483
ethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
CID 55934184
ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929569
ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate
CID 55654735
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate
CID 95352835
N-(5-methylhexan-2-yl)-4-oxochromene-2-carboxamide
CID 78788697
N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 134010201
ethyl N-[4-methyl-1-[(2-nitrobenzoyl)amino]pentan-2-yl]carbamate
CID 46432668

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate?
The IUPAC name of ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate (CID 55654736) is ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)c1cc(=O)c2ccccc2o1)CC(C)C.
What is the InChIKey of ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate?
The InChIKey is OTCQAVRGQLHDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-4-25-19(24)21-13(9-12(2)3)11-20-18(23)17-10-15(22)14-7-5-6-8-16(14)26-17/h5-8,10,12-13H,4,9,11H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate?
ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate has a molecular weight of 360.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate is sourced from PubChem (CID 55654736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).