4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide

C16H24N2O3 — CID 120828081

IUPAC4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NCC(C)NC)cc1
InChIInChI=1S/C16H24N2O3/c1-4-21-14-7-5-13(6-8-14)15(19)9-10-16(20)18-11-12(2)17-3/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,20)
InChIKeyDQITVSMNXWEMIV-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.77
Rot. Bonds9

About 4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide

4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide (PubChem CID 120828081) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide
PubChem CID120828081
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NCC(C)NC)cc1
InChIInChI=1S/C16H24N2O3/c1-4-21-14-7-5-13(6-8-14)15(19)9-10-16(20)18-11-12(2)17-3/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,20)
InChIKeyDQITVSMNXWEMIV-UHFFFAOYSA-N
XLogP1.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide
CID 120828053
4-(4-iodophenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 120828900
N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride
CID 120829828
N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 119529476
4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide
CID 9224439
4-(4-ethoxyphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-oxobutanamide
CID 51951673
4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 8733342
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 42959835
4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide
CID 120826819
N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 134046513

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide (CID 120828081) is 4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)NCC(C)NC)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide?
The InChIKey is DQITVSMNXWEMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-21-14-7-5-13(6-8-14)15(19)9-10-16(20)18-11-12(2)17-3/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,20).
What are the key properties of 4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide?
4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide has a molecular weight of 292.38 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide is sourced from PubChem (CID 120828081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).