N-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide

C19H27NO3 — CID 112786589

IUPACN-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide
SMILESCC=Cc1ccc(OCC(=O)N(CCC)CC2CC2)c(OC)c1
InChIInChI=1S/C19H27NO3/c1-4-6-15-9-10-17(18(12-15)22-3)23-14-19(21)20(11-5-2)13-16-7-8-16/h4,6,9-10,12,16H,5,7-8,11,13-14H2,1-3H3
InChIKeyFDUOJYPOCSOWRO-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.76
Rot. Bonds9

About N-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide

N-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide (PubChem CID 112786589) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide
PubChem CID112786589
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide
SMILESCC=Cc1ccc(OCC(=O)N(CCC)CC2CC2)c(OC)c1
InChIInChI=1S/C19H27NO3/c1-4-6-15-9-10-17(18(12-15)22-3)23-14-19(21)20(11-5-2)13-16-7-8-16/h4,6,9-10,12,16H,5,7-8,11,13-14H2,1-3H3
InChIKeyFDUOJYPOCSOWRO-UHFFFAOYSA-N
XLogP3.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 78766081
2-(2-methoxy-4-prop-1-enylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 78766138
N,N-bis(2-cyanoethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 78767174
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 18133926
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591
ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate
CID 36860916
(4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 18284889
1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-N,N-dimethylpiperidine-4-carboxamide
CID 86975363
ethyl 4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]piperidine-1-carboxylate
CID 46798927
2-(2-methoxy-4-prop-1-enylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78766207

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide (CID 112786589) is N-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide is CC=Cc1ccc(OCC(=O)N(CCC)CC2CC2)c(OC)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide?
The InChIKey is FDUOJYPOCSOWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-4-6-15-9-10-17(18(12-15)22-3)23-14-19(21)20(11-5-2)13-16-7-8-16/h4,6,9-10,12,16H,5,7-8,11,13-14H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide?
N-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide has a molecular weight of 317.43 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2-methoxy-4-prop-1-enylphenoxy)-N-propylacetamide is sourced from PubChem (CID 112786589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).