3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide

C24H34N2O3 — CID 46456160

IUPAC3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCc2ccccc2CN(C)C(C)C)cc1OCC
InChIInChI=1S/C24H34N2O3/c1-6-14-29-22-13-12-19(15-23(22)28-7-2)24(27)25-16-20-10-8-9-11-21(20)17-26(5)18(3)4/h8-13,15,18H,6-7,14,16-17H2,1-5H3,(H,25,27)
InChIKeyBKFMJNOPRIHKQD-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.64
Rot. Bonds11

About 3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide

3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide (PubChem CID 46456160) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide
PubChem CID46456160
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCc2ccccc2CN(C)C(C)C)cc1OCC
InChIInChI=1S/C24H34N2O3/c1-6-14-29-22-13-12-19(15-23(22)28-7-2)24(27)25-16-20-10-8-9-11-21(20)17-26(5)18(3)4/h8-13,15,18H,6-7,14,16-17H2,1-5H3,(H,25,27)
InChIKeyBKFMJNOPRIHKQD-UHFFFAOYSA-N
XLogP4.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
CID 55695089
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide
CID 119498085
3-ethoxy-N',N'-dimethyl-4-propoxybenzohydrazide
CID 9164038
3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 46474128
3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 38556550
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 55694833
N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide
CID 119384376
4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 55694979
3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide
CID 78783998
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46671493

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide?
The IUPAC name of 3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide (CID 46456160) is 3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide?
The canonical SMILES for 3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NCc2ccccc2CN(C)C(C)C)cc1OCC.
What is the InChIKey of 3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide?
The InChIKey is BKFMJNOPRIHKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-6-14-29-22-13-12-19(15-23(22)28-7-2)24(27)25-16-20-10-8-9-11-21(20)17-26(5)18(3)4/h8-13,15,18H,6-7,14,16-17H2,1-5H3,(H,25,27).
What are the key properties of 3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide?
3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide has a molecular weight of 398.55 g/mol, XLogP of 4.64, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide is sourced from PubChem (CID 46456160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).