N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide

C16H23NO4 — CID 52574681

IUPACN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)N(Cc1cc(OC)ccc1OC)C1CC1
InChIInChI=1S/C16H23NO4/c1-4-21-11-16(18)17(13-5-6-13)10-12-9-14(19-2)7-8-15(12)20-3/h7-9,13H,4-6,10-11H2,1-3H3
InChIKeyHSAMWKWWMKCMMA-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.23
Rot. Bonds8

About N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide (PubChem CID 52574681) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide
PubChem CID52574681
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)N(Cc1cc(OC)ccc1OC)C1CC1
InChIInChI=1S/C16H23NO4/c1-4-21-11-16(18)17(13-5-6-13)10-12-9-14(19-2)7-8-15(12)20-3/h7-9,13H,4-6,10-11H2,1-3H3
InChIKeyHSAMWKWWMKCMMA-UHFFFAOYSA-N
XLogP2.23
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide
CID 120560197
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119286973
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 33079090
(2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119286967
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119286963
N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)acetamide
CID 78860034
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 46545952
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 33078129
2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33078304
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55830000

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide?
The IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide (CID 52574681) is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide?
The canonical SMILES for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide is CCOCC(=O)N(Cc1cc(OC)ccc1OC)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide?
The InChIKey is HSAMWKWWMKCMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-21-11-16(18)17(13-5-6-13)10-12-9-14(19-2)7-8-15(12)20-3/h7-9,13H,4-6,10-11H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide?
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide has a molecular weight of 293.36 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide is sourced from PubChem (CID 52574681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).