N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide

C22H26N2O3 — CID 55478443

IUPACN-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NC(c2ccc(C)cc2)C2CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-3-27-19-12-10-18(11-13-19)22(26)23-14-20(25)24-21(17-8-9-17)16-6-4-15(2)5-7-16/h4-7,10-13,17,21H,3,8-9,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyIDHBUDUQYLJTMR-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.39
Rot. Bonds8

About N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide

N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide (PubChem CID 55478443) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
PubChem CID55478443
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NC(c2ccc(C)cc2)C2CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-3-27-19-12-10-18(11-13-19)22(26)23-14-20(25)24-21(17-8-9-17)16-6-4-15(2)5-7-16/h4-7,10-13,17,21H,3,8-9,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyIDHBUDUQYLJTMR-UHFFFAOYSA-N
XLogP3.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 46580126
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315
N-[cyclopropyl-(4-methylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 24625885
N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide
CID 42925489
N-[cyclopropyl-(4-methylphenyl)methyl]-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 55478188
2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid
CID 120523615
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
N-(2-chloro-2-cyclopropylethyl)-4-ethoxybenzamide
CID 113273443
4-ethoxy-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 43067377
N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide
CID 55478527

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide (CID 55478443) is N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)NC(c2ccc(C)cc2)C2CC2)cc1.
What is the InChIKey of N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide?
The InChIKey is IDHBUDUQYLJTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-27-19-12-10-18(11-13-19)22(26)23-14-20(25)24-21(17-8-9-17)16-6-4-15(2)5-7-16/h4-7,10-13,17,21H,3,8-9,14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide?
N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide has a molecular weight of 366.46 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide is sourced from PubChem (CID 55478443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).