diethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium

C19H27N2O3+ — CID 2374163

IUPACdiethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium
SMILESCC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H26N2O3/c1-4-21(5-2)12-8-9-14(3)20-19(23)18-13-16(22)15-10-6-7-11-17(15)24-18/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H,20,23)/p+1/t14-/m0/s1
InChIKeyOBKPUTNVUSSIEO-AWEZNQCLSA-O
MW331.44 g/mol
LogP1.62
Rot. Bonds8

About diethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium

diethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium (PubChem CID 2374163) has the molecular formula C19H27N2O3+ and a molecular weight of 331.44 g/mol. Its IUPAC name is diethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium.

Molecular Properties

Compound Namediethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium
PubChem CID2374163
Molecular FormulaC19H27N2O3+
Molecular Weight331.44 g/mol
Exact Mass331.20
IUPAC Namediethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium
SMILESCC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H26N2O3/c1-4-21(5-2)12-8-9-14(3)20-19(23)18-13-16(22)15-10-6-7-11-17(15)24-18/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H,20,23)/p+1/t14-/m0/s1
InChIKeyOBKPUTNVUSSIEO-AWEZNQCLSA-O
XLogP1.62
TPSA63.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methylhexan-2-yl)-4-oxochromene-2-carboxamide
CID 78788697
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
CID 107300405
(2R)-4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid
CID 107822689
4-hydroxy-2-[(4-oxochromene-2-carbonyl)amino]butanoic acid
CID 61244550
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide
CID 61246614
N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide
CID 43601604
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-[1-(4-ethoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 134010201
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-oxochromene-2-carboxamide
CID 95167823
N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide
CID 78798389

Frequently Asked Questions

What is the IUPAC name of diethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium?
The IUPAC name of diethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium (CID 2374163) is diethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium.
What is the SMILES notation for diethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium?
The canonical SMILES for diethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium is CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of diethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium?
The InChIKey is OBKPUTNVUSSIEO-AWEZNQCLSA-O. The full InChI is InChI=1S/C19H26N2O3/c1-4-21(5-2)12-8-9-14(3)20-19(23)18-13-16(22)15-10-6-7-11-17(15)24-18/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H,20,23)/p+1/t14-/m0/s1.
What are the key properties of diethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium?
diethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium has a molecular weight of 331.44 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium is sourced from PubChem (CID 2374163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).