N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide

C19H29NO4 — CID 113095965

IUPACN-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide
SMILESCOc1cc(CCN(C(=O)C(C)(C)C)C2CC2)cc(OC)c1OC
InChIInChI=1S/C19H29NO4/c1-19(2,3)18(21)20(14-7-8-14)10-9-13-11-15(22-4)17(24-6)16(12-13)23-5/h11-12,14H,7-10H2,1-6H3
InChIKeyDKLAECCMMYYLAD-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.29
Rot. Bonds7

About N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide

N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide (PubChem CID 113095965) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide
PubChem CID113095965
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC NameN-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide
SMILESCOc1cc(CCN(C(=O)C(C)(C)C)C2CC2)cc(OC)c1OC
InChIInChI=1S/C19H29NO4/c1-19(2,3)18(21)20(14-7-8-14)10-9-13-11-15(22-4)17(24-6)16(12-13)23-5/h11-12,14H,7-10H2,1-6H3
InChIKeyDKLAECCMMYYLAD-UHFFFAOYSA-N
XLogP3.29
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095956
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095969
N-cyclopropyl-2-methoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095976
N-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095973
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]ethanesulfonamide
CID 113096008
N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
CID 43576979
N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexanecarboxamide
CID 113095892
N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095899
N-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]oxane-4-carboxamide
CID 113095939
4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095739
2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 94718590
N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide
CID 63394338

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide?
The IUPAC name of N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide (CID 113095965) is N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide is COc1cc(CCN(C(=O)C(C)(C)C)C2CC2)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide?
The InChIKey is DKLAECCMMYYLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-19(2,3)18(21)20(14-7-8-14)10-9-13-11-15(22-4)17(24-6)16(12-13)23-5/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide?
N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide has a molecular weight of 335.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 113095965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).