2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide

C23H30N2O5 — CID 55845776

IUPAC2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCCCOc1ccc(C(C)NC(=O)CNC(=O)c2ccccc2OCC)cc1OC
InChIInChI=1S/C23H30N2O5/c1-5-13-30-20-12-11-17(14-21(20)28-4)16(3)25-22(26)15-24-23(27)18-9-7-8-10-19(18)29-6-2/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyWPKKDYVEVSSLAW-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.49
Rot. Bonds11

About 2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide

2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 55845776) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide
PubChem CID55845776
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCCCOc1ccc(C(C)NC(=O)CNC(=O)c2ccccc2OCC)cc1OC
InChIInChI=1S/C23H30N2O5/c1-5-13-30-20-12-11-17(14-21(20)28-4)16(3)25-22(26)15-24-23(27)18-9-7-8-10-19(18)29-6-2/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyWPKKDYVEVSSLAW-UHFFFAOYSA-N
XLogP3.49
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide
CID 46807320
2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 55869434
2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9418929
2-ethoxy-N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 46654191
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728
N-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 42916620
2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
CID 46416040
N-[2-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-2-oxoethyl]furan-3-carboxamide
CID 46460724
N-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 43017375
2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 17406382
N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46414977
3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide
CID 56581932

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide (CID 55845776) is 2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide is CCCOc1ccc(C(C)NC(=O)CNC(=O)c2ccccc2OCC)cc1OC.
What is the InChIKey of 2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is WPKKDYVEVSSLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-5-13-30-20-12-11-17(14-21(20)28-4)16(3)25-22(26)15-24-23(27)18-9-7-8-10-19(18)29-6-2/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of 2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 414.50 g/mol, XLogP of 3.49, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55845776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).