N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide

C23H30N2O5 — CID 55901936

IUPACN-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NC(CC)c2ccccc2OCC(=O)N(C)C)ccc1OC
InChIInChI=1S/C23H30N2O5/c1-6-18(17-10-8-9-11-19(17)30-15-22(26)25(3)4)24-23(27)16-12-13-20(28-5)21(14-16)29-7-2/h8-14,18H,6-7,15H2,1-5H3,(H,24,27)
InChIKeyLXMFFVUBCLIWHG-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.44
Rot. Bonds10

About N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide

N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide (PubChem CID 55901936) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide
PubChem CID55901936
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC NameN-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NC(CC)c2ccccc2OCC(=O)N(C)C)ccc1OC
InChIInChI=1S/C23H30N2O5/c1-6-18(17-10-8-9-11-19(17)30-15-22(26)25(3)4)24-23(27)16-12-13-20(28-5)21(14-16)29-7-2/h8-14,18H,6-7,15H2,1-5H3,(H,24,27)
InChIKeyLXMFFVUBCLIWHG-UHFFFAOYSA-N
XLogP3.44
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 55901041
4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide
CID 55902194
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55902697
2-(2,4-dimethoxyphenyl)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]acetamide
CID 55901043
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-(tetrazol-1-yl)benzamide
CID 55902695
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]prop-2-enamide
CID 55992224
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 55901297
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide
CID 55902579
6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid
CID 119180806
3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 43418103
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55901687
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide (CID 55901936) is N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)NC(CC)c2ccccc2OCC(=O)N(C)C)ccc1OC.
What is the InChIKey of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide?
The InChIKey is LXMFFVUBCLIWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-6-18(17-10-8-9-11-19(17)30-15-22(26)25(3)4)24-23(27)16-12-13-20(28-5)21(14-16)29-7-2/h8-14,18H,6-7,15H2,1-5H3,(H,24,27).
What are the key properties of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide?
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide has a molecular weight of 414.50 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 55901936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).