N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide

C20H24N2O3 — CID 119438264

IUPACN-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCCNCc1cccc(NC(=O)CCC(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C20H24N2O3/c1-3-21-14-15-5-4-6-17(13-15)22-20(24)12-11-19(23)16-7-9-18(25-2)10-8-16/h4-10,13,21H,3,11-12,14H2,1-2H3,(H,22,24)
InChIKeyRMYJPBDQDKEDDV-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.41
Rot. Bonds9

About N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide

N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide (PubChem CID 119438264) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
PubChem CID119438264
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCCNCc1cccc(NC(=O)CCC(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C20H24N2O3/c1-3-21-14-15-5-4-6-17(13-15)22-20(24)12-11-19(23)16-7-9-18(25-2)10-8-16/h4-10,13,21H,3,11-12,14H2,1-2H3,(H,22,24)
InChIKeyRMYJPBDQDKEDDV-UHFFFAOYSA-N
XLogP3.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride
CID 119438414
N-[3-(ethylaminomethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119438032
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523
2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid
CID 119351782
3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide
CID 119441047
ethyl [4-[[3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]phenyl]methylcarbamoyl]phenyl] carbonate
CID 108931955
4-(4-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)butanamide
CID 49017115
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
3-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(ethylaminomethyl)phenyl]propanamide
CID 119438401
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 86979131
2-(3,4-dimethoxyphenyl)-N-[3-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119438239

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide (CID 119438264) is N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide is CCNCc1cccc(NC(=O)CCC(=O)c2ccc(OC)cc2)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide?
The InChIKey is RMYJPBDQDKEDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-21-14-15-5-4-6-17(13-15)22-20(24)12-11-19(23)16-7-9-18(25-2)10-8-16/h4-10,13,21H,3,11-12,14H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide?
N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide has a molecular weight of 340.42 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-4-(4-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 119438264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).