3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide

C17H22ClNO2 — CID 3352018

IUPAC3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
SMILESCCCN(CC1CCCO1)C(=O)C=Cc1ccccc1Cl
InChIInChI=1S/C17H22ClNO2/c1-2-11-19(13-15-7-5-12-21-15)17(20)10-9-14-6-3-4-8-16(14)18/h3-4,6,8-10,15H,2,5,7,11-13H2,1H3
InChIKeySKQTXQHLBYENSK-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.77
Rot. Bonds6

About 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide

3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide (PubChem CID 3352018) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
PubChem CID3352018
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
SMILESCCCN(CC1CCCO1)C(=O)C=Cc1ccccc1Cl
InChIInChI=1S/C17H22ClNO2/c1-2-11-19(13-15-7-5-12-21-15)17(20)10-9-14-6-3-4-8-16(14)18/h3-4,6,8-10,15H,2,5,7,11-13H2,1H3
InChIKeySKQTXQHLBYENSK-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide
CID 3352945
3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide
CID 72688480
3-(1,3-benzodioxol-5-yl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide
CID 72688493
(E)-3-(2-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 42484513
N-(cyclopropylmethyl)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 3347700
(E)-3-(2-chlorophenyl)-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 26400236
(E)-3-(2-chlorophenyl)-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 26400235
(E)-N-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-enamide
CID 40850268
2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]-ethylamino]acetic acid
CID 54901044
N-ethyl-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 3350679
(E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethylcarbamothioyl)prop-2-enamide
CID 6134033
(E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide
CID 884483

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide (CID 3352018) is 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide is CCCN(CC1CCCO1)C(=O)C=Cc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide?
The InChIKey is SKQTXQHLBYENSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-2-11-19(13-15-7-5-12-21-15)17(20)10-9-14-6-3-4-8-16(14)18/h3-4,6,8-10,15H,2,5,7,11-13H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide?
3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide has a molecular weight of 307.82 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-propylprop-2-enamide is sourced from PubChem (CID 3352018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).