[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate

C22H25NO4 — CID 46638836

IUPAC[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)C1COc2ccccc2C1
InChIInChI=1S/C22H25NO4/c1-16(2)23(13-17-8-4-3-5-9-17)21(24)15-27-22(25)19-12-18-10-6-7-11-20(18)26-14-19/h3-11,16,19H,12-15H2,1-2H3
InChIKeyVABLICXZQUIHDF-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.22
Rot. Bonds6

About [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate (PubChem CID 46638836) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate
PubChem CID46638836
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate
SMILESCC(C)N(Cc1ccccc1)C(=O)COC(=O)C1COc2ccccc2C1
InChIInChI=1S/C22H25NO4/c1-16(2)23(13-17-8-4-3-5-9-17)21(24)15-27-22(25)19-12-18-10-6-7-11-20(18)26-14-19/h3-11,16,19H,12-15H2,1-2H3
InChIKeyVABLICXZQUIHDF-UHFFFAOYSA-N
XLogP3.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 60731106
[2-(3,4-dimethylphenyl)-2-oxoethyl] (3S)-3,4-dihydro-2H-chromene-3-carboxylate
CID 9381608
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate
CID 46638794
cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 55429666
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate
CID 94870978
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxylate
CID 78278809
(4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate
CID 9381650
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7277099
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041165
(4-ethoxycarbonylphenyl) (3R)-3,4-dihydro-2H-chromene-3-carboxylate
CID 9455774

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate?
The IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate (CID 46638836) is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate.
What is the SMILES notation for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate?
The canonical SMILES for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate is CC(C)N(Cc1ccccc1)C(=O)COC(=O)C1COc2ccccc2C1.
What is the InChIKey of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate?
The InChIKey is VABLICXZQUIHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-16(2)23(13-17-8-4-3-5-9-17)21(24)15-27-22(25)19-12-18-10-6-7-11-20(18)26-14-19/h3-11,16,19H,12-15H2,1-2H3.
What are the key properties of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate?
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate is sourced from PubChem (CID 46638836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).