N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide

C18H22ClNO2 — CID 95295946

IUPACN-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide
SMILESC=C(Cl)CN(C(=O)C1CCOCC1)[C@@H]1CCc2ccccc21
InChIInChI=1S/C18H22ClNO2/c1-13(19)12-20(18(21)15-8-10-22-11-9-15)17-7-6-14-4-2-3-5-16(14)17/h2-5,15,17H,1,6-12H2/t17-/m1/s1
InChIKeyUXAYSRXWVNQIFX-QGZVFWFLSA-N
MW319.83 g/mol
LogP3.68
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide

N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide (PubChem CID 95295946) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide
PubChem CID95295946
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC NameN-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide
SMILESC=C(Cl)CN(C(=O)C1CCOCC1)[C@@H]1CCc2ccccc21
InChIInChI=1S/C18H22ClNO2/c1-13(19)12-20(18(21)15-8-10-22-11-9-15)17-7-6-14-4-2-3-5-16(14)17/h2-5,15,17H,1,6-12H2/t17-/m1/s1
InChIKeyUXAYSRXWVNQIFX-QGZVFWFLSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-N-methyloxane-4-carboxamide
CID 75868866
(4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 95340345
N-(2-chloroprop-2-enyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 86783832
cis-(1S,3R)-3-[benzyl(2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 134069273
N-methyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-inden-1-amine
CID 134049939
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 37058185
2,3-dihydro-1H-inden-1-yl(oxolan-3-yl)methanone
CID 65409150
N',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide
CID 67417202
3-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111790491
N'-[[[amino-[[(1R)-2,3-dihydro-1H-inden-1-yl]-prop-2-ynylamino]methylidene]amino]methyl]-2-methylprop-2-enimidamide
CID 163877068
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 134052196
2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide (CID 95295946) is N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide is C=C(Cl)CN(C(=O)C1CCOCC1)[C@@H]1CCc2ccccc21.
What is the InChIKey of N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide?
The InChIKey is UXAYSRXWVNQIFX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-13(19)12-20(18(21)15-8-10-22-11-9-15)17-7-6-14-4-2-3-5-16(14)17/h2-5,15,17H,1,6-12H2/t17-/m1/s1.
What are the key properties of N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide?
N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide has a molecular weight of 319.83 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide is sourced from PubChem (CID 95295946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).