N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide

C15H22N2O4 — CID 50967022

IUPACN-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(OCC(=O)NC(CC)CO)c1
InChIInChI=1S/C15H22N2O4/c1-3-11(9-18)16-15(20)10-21-13-7-5-6-12(8-13)17-14(19)4-2/h5-8,11,18H,3-4,9-10H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyDSIKYBDTEGHXGL-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.30
Rot. Bonds8

About N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide

N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide (PubChem CID 50967022) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide
PubChem CID50967022
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(OCC(=O)NC(CC)CO)c1
InChIInChI=1S/C15H22N2O4/c1-3-11(9-18)16-15(20)10-21-13-7-5-6-12(8-13)17-14(19)4-2/h5-8,11,18H,3-4,9-10H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyDSIKYBDTEGHXGL-UHFFFAOYSA-N
XLogP1.30
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870253
N-[3-[2-[[(2R)-2-methoxybutyl]amino]-2-oxoethoxy]phenyl]propanamide
CID 95144014
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
2-(3-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60626470
2-(butan-2-ylamino)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 60852115
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]propanamide
CID 807123
2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 55031831
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188267
2-(3-formylphenoxy)-N-pentan-3-ylacetamide
CID 60624295
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
(3,5-dimethylphenyl) 2-[3-(propanoylamino)phenoxy]acetate
CID 18870324
2-(3-ethylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide
CID 115767310

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide?
The IUPAC name of N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide (CID 50967022) is N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide.
What is the SMILES notation for N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide?
The canonical SMILES for N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide is CCC(=O)Nc1cccc(OCC(=O)NC(CC)CO)c1.
What is the InChIKey of N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide?
The InChIKey is DSIKYBDTEGHXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-11(9-18)16-15(20)10-21-13-7-5-6-12(8-13)17-14(19)4-2/h5-8,11,18H,3-4,9-10H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide?
N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide has a molecular weight of 294.35 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide is sourced from PubChem (CID 50967022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).