1-chloro-2-methylprop-1-ene;methanol;2-(4-methoxy-1,2-dimethylindol-3-yl)acetamide;prop-1-ene

C21H33ClN2O3 — CID 142928947

IUPAC1-chloro-2-methylprop-1-ene;methanol;2-(4-methoxy-1,2-dimethylindol-3-yl)acetamide;prop-1-ene
SMILESC=CC.CC(C)=CCl.CO.COc1cccc2c1c(CC(N)=O)c(C)n2C
InChIInChI=1S/C13H16N2O2.C4H7Cl.C3H6.CH4O/c1-8-9(7-12(14)16)13-10(15(8)2)5-4-6-11(13)17-3;1-4(2)3-5;1-3-2;1-2/h4-6H,7H2,1-3H3,(H2,14,16);3H,1-2H3;3H,1H2,2H3;2H,1H3
InChIKeyPVPBPHVSTHEKJW-UHFFFAOYSA-N
MW396.96 g/mol
LogP4.47
Rot. Bonds3

About 1-chloro-2-methylprop-1-ene;methanol;2-(4-methoxy-1,2-dimethylindol-3-yl)acetamide;prop-1-ene

1-chloro-2-methylprop-1-ene;methanol;2-(4-methoxy-1,2-dimethylindol-3-yl)acetamide;prop-1-ene (PubChem CID 142928947) has the molecular formula C21H33ClN2O3 and a molecular weight of 396.96 g/mol. Its IUPAC name is 1-chloro-2-methylprop-1-ene;methanol;2-(4-methoxy-1,2-dimethylindol-3-yl)acetamide;prop-1-ene.

Molecular Properties

Compound Name1-chloro-2-methylprop-1-ene;methanol;2-(4-methoxy-1,2-dimethylindol-3-yl)acetamide;prop-1-ene
PubChem CID142928947
Molecular FormulaC21H33ClN2O3
Molecular Weight396.96 g/mol
Exact Mass396.22
IUPAC Name1-chloro-2-methylprop-1-ene;methanol;2-(4-methoxy-1,2-dimethylindol-3-yl)acetamide;prop-1-ene
SMILESC=CC.CC(C)=CCl.CO.COc1cccc2c1c(CC(N)=O)c(C)n2C
InChIInChI=1S/C13H16N2O2.C4H7Cl.C3H6.CH4O/c1-8-9(7-12(14)16)13-10(15(8)2)5-4-6-11(13)17-3;1-4(2)3-5;1-3-2;1-2/h4-6H,7H2,1-3H3,(H2,14,16);3H,1-2H3;3H,1H2,2H3;2H,1H3
InChIKeyPVPBPHVSTHEKJW-UHFFFAOYSA-N
XLogP4.47
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.96
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
2-[1-(2-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetic acid
CID 54561553
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
2-(3-methoxy-2-methylphenyl)acetamide
CID 141044512
3-chloro-4-methoxy-1-methylindole-2-carboxylic acid
CID 102544072
2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid
CID 82501280
[2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]oxy-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-4-methoxy-2-methylindol-3-yl]acetate
CID 67638409
2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110768838
4-(7-chloro-4-methoxy-1,2-dimethylindol-3-yl)butan-2-one
CID 98035172
3-(aminomethyl)-5-methoxy-1-methylquinazoline-2,4-dione
CID 117262276
2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide
CID 147162606
2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide
CID 10597071

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylprop-1-ene;methanol;2-(4-methoxy-1,2-dimethylindol-3-yl)acetamide;prop-1-ene?
The IUPAC name of 1-chloro-2-methylprop-1-ene;methanol;2-(4-methoxy-1,2-dimethylindol-3-yl)acetamide;prop-1-ene (CID 142928947) is 1-chloro-2-methylprop-1-ene;methanol;2-(4-methoxy-1,2-dimethylindol-3-yl)acetamide;prop-1-ene.
What is the SMILES notation for 1-chloro-2-methylprop-1-ene;methanol;2-(4-methoxy-1,2-dimethylindol-3-yl)acetamide;prop-1-ene?
The canonical SMILES for 1-chloro-2-methylprop-1-ene;methanol;2-(4-methoxy-1,2-dimethylindol-3-yl)acetamide;prop-1-ene is C=CC.CC(C)=CCl.CO.COc1cccc2c1c(CC(N)=O)c(C)n2C.
What is the InChIKey of 1-chloro-2-methylprop-1-ene;methanol;2-(4-methoxy-1,2-dimethylindol-3-yl)acetamide;prop-1-ene?
The InChIKey is PVPBPHVSTHEKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.C4H7Cl.C3H6.CH4O/c1-8-9(7-12(14)16)13-10(15(8)2)5-4-6-11(13)17-3;1-4(2)3-5;1-3-2;1-2/h4-6H,7H2,1-3H3,(H2,14,16);3H,1-2H3;3H,1H2,2H3;2H,1H3.
What are the key properties of 1-chloro-2-methylprop-1-ene;methanol;2-(4-methoxy-1,2-dimethylindol-3-yl)acetamide;prop-1-ene?
1-chloro-2-methylprop-1-ene;methanol;2-(4-methoxy-1,2-dimethylindol-3-yl)acetamide;prop-1-ene has a molecular weight of 396.96 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylprop-1-ene;methanol;2-(4-methoxy-1,2-dimethylindol-3-yl)acetamide;prop-1-ene is sourced from PubChem (CID 142928947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).