benzyl N-[2-[3,4-dihydro-1H-isochromen-3-ylmethyl(methyl)amino]-2-oxoethyl]carbamate

C21H24N2O4 — CID 90635787

IUPACbenzyl N-[2-[3,4-dihydro-1H-isochromen-3-ylmethyl(methyl)amino]-2-oxoethyl]carbamate
SMILESCN(CC1Cc2ccccc2CO1)C(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C21H24N2O4/c1-23(13-19-11-17-9-5-6-10-18(17)15-26-19)20(24)12-22-21(25)27-14-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3,(H,22,25)
InChIKeyWSLUYWBIPIQXKE-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.51
Rot. Bonds6

About benzyl N-[2-[3,4-dihydro-1H-isochromen-3-ylmethyl(methyl)amino]-2-oxoethyl]carbamate

benzyl N-[2-[3,4-dihydro-1H-isochromen-3-ylmethyl(methyl)amino]-2-oxoethyl]carbamate (PubChem CID 90635787) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is benzyl N-[2-[3,4-dihydro-1H-isochromen-3-ylmethyl(methyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[3,4-dihydro-1H-isochromen-3-ylmethyl(methyl)amino]-2-oxoethyl]carbamate
PubChem CID90635787
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namebenzyl N-[2-[3,4-dihydro-1H-isochromen-3-ylmethyl(methyl)amino]-2-oxoethyl]carbamate
SMILESCN(CC1Cc2ccccc2CO1)C(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C21H24N2O4/c1-23(13-19-11-17-9-5-6-10-18(17)15-26-19)20(24)12-22-21(25)27-14-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3,(H,22,25)
InChIKeyWSLUYWBIPIQXKE-UHFFFAOYSA-N
XLogP2.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-4-(4-hydroxyphenyl)-N-methylbutanamide
CID 166365166
1-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 100752406
2-[carboxymethyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetic acid
CID 70865153
benzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate
CID 176618117
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 90635834
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 91626554
1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methyl-3-naphthalen-1-ylurea
CID 90635907
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide
CID 90635825
methyl 2-[amino-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetate
CID 165342996
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-3-(trifluoromethoxy)benzamide
CID 90635820
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[3,4-dihydro-1H-isochromen-3-ylmethyl(methyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[3,4-dihydro-1H-isochromen-3-ylmethyl(methyl)amino]-2-oxoethyl]carbamate (CID 90635787) is benzyl N-[2-[3,4-dihydro-1H-isochromen-3-ylmethyl(methyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[3,4-dihydro-1H-isochromen-3-ylmethyl(methyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[3,4-dihydro-1H-isochromen-3-ylmethyl(methyl)amino]-2-oxoethyl]carbamate is CN(CC1Cc2ccccc2CO1)C(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[3,4-dihydro-1H-isochromen-3-ylmethyl(methyl)amino]-2-oxoethyl]carbamate?
The InChIKey is WSLUYWBIPIQXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-23(13-19-11-17-9-5-6-10-18(17)15-26-19)20(24)12-22-21(25)27-14-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3,(H,22,25).
What are the key properties of benzyl N-[2-[3,4-dihydro-1H-isochromen-3-ylmethyl(methyl)amino]-2-oxoethyl]carbamate?
benzyl N-[2-[3,4-dihydro-1H-isochromen-3-ylmethyl(methyl)amino]-2-oxoethyl]carbamate has a molecular weight of 368.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[3,4-dihydro-1H-isochromen-3-ylmethyl(methyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 90635787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).