N-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide

C16H24N2O4 — CID 95144014

IUPACN-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(OCC(=O)NC[C@@H](CC)OC)c1
InChIInChI=1S/C16H24N2O4/c1-4-13(21-3)10-17-16(20)11-22-14-8-6-7-12(9-14)18-15(19)5-2/h6-9,13H,4-5,10-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyZMWPQAWMHSMFSO-CYBMUJFWSA-N
MW308.38 g/mol
LogP1.96
Rot. Bonds9

About N-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide

N-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide (PubChem CID 95144014) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide
PubChem CID95144014
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(OCC(=O)NC[C@@H](CC)OC)c1
InChIInChI=1S/C16H24N2O4/c1-4-13(21-3)10-17-16(20)11-22-14-8-6-7-12(9-14)18-15(19)5-2/h6-9,13H,4-5,10-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyZMWPQAWMHSMFSO-CYBMUJFWSA-N
XLogP1.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide
CID 50967022
N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870253
4-[[2-(3-ethylphenoxy)acetyl]amino]-3-methoxybutanoic acid
CID 103152454
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(4-propanoylphenoxy)acetamide
CID 34875030
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]propanamide
CID 807123
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188267
(3,5-dimethylphenyl) 2-[3-(propanoylamino)phenoxy]acetate
CID 18870324
N-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870278
N-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide
CID 50951360

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide?
The IUPAC name of N-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide (CID 95144014) is N-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide.
What is the SMILES notation for N-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide?
The canonical SMILES for N-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide is CCC(=O)Nc1cccc(OCC(=O)NC[C@@H](CC)OC)c1.
What is the InChIKey of N-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide?
The InChIKey is ZMWPQAWMHSMFSO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-4-13(21-3)10-17-16(20)11-22-14-8-6-7-12(9-14)18-15(19)5-2/h6-9,13H,4-5,10-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1.
What are the key properties of N-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide?
N-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide has a molecular weight of 308.38 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide is sourced from PubChem (CID 95144014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).