4-oxo-N-[2-oxo-2-(propylamino)ethyl]-4-(4-propoxyphenyl)-N-propylbutanamide

C21H32N2O4 — CID 55861980

IUPAC4-oxo-N-[2-oxo-2-(propylamino)ethyl]-4-(4-propoxyphenyl)-N-propylbutanamide
SMILESCCCNC(=O)CN(CCC)C(=O)CCC(=O)c1ccc(OCCC)cc1
InChIInChI=1S/C21H32N2O4/c1-4-13-22-20(25)16-23(14-5-2)21(26)12-11-19(24)17-7-9-18(10-8-17)27-15-6-3/h7-10H,4-6,11-16H2,1-3H3,(H,22,25)
InChIKeyANRDRUVNSPQERL-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.20
Rot. Bonds13

About 4-oxo-N-[2-oxo-2-(propylamino)ethyl]-4-(4-propoxyphenyl)-N-propylbutanamide

4-oxo-N-[2-oxo-2-(propylamino)ethyl]-4-(4-propoxyphenyl)-N-propylbutanamide (PubChem CID 55861980) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-oxo-N-[2-oxo-2-(propylamino)ethyl]-4-(4-propoxyphenyl)-N-propylbutanamide.

Molecular Properties

Compound Name4-oxo-N-[2-oxo-2-(propylamino)ethyl]-4-(4-propoxyphenyl)-N-propylbutanamide
PubChem CID55861980
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name4-oxo-N-[2-oxo-2-(propylamino)ethyl]-4-(4-propoxyphenyl)-N-propylbutanamide
SMILESCCCNC(=O)CN(CCC)C(=O)CCC(=O)c1ccc(OCCC)cc1
InChIInChI=1S/C21H32N2O4/c1-4-13-22-20(25)16-23(14-5-2)21(26)12-11-19(24)17-7-9-18(10-8-17)27-15-6-3/h7-10H,4-6,11-16H2,1-3H3,(H,22,25)
InChIKeyANRDRUVNSPQERL-UHFFFAOYSA-N
XLogP3.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxypropyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 78796002
4-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]benzoic acid
CID 119181956
3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 3056738
2-[[4-oxo-4-(4-propoxyphenyl)butanoyl]-propan-2-ylamino]acetic acid
CID 120580964
2-methyl-N'-[4-oxo-4-(4-propoxyphenyl)butanoyl]benzohydrazide
CID 9220935
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 38451172
1-(4-propoxyphenyl)-2-(propylamino)ethanone
CID 82101916
N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 7779404
N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 78773838
4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 8733342
butyl 4-oxo-4-(4-propoxyphenyl)butanoate
CID 60731121

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-oxo-2-(propylamino)ethyl]-4-(4-propoxyphenyl)-N-propylbutanamide?
The IUPAC name of 4-oxo-N-[2-oxo-2-(propylamino)ethyl]-4-(4-propoxyphenyl)-N-propylbutanamide (CID 55861980) is 4-oxo-N-[2-oxo-2-(propylamino)ethyl]-4-(4-propoxyphenyl)-N-propylbutanamide.
What is the SMILES notation for 4-oxo-N-[2-oxo-2-(propylamino)ethyl]-4-(4-propoxyphenyl)-N-propylbutanamide?
The canonical SMILES for 4-oxo-N-[2-oxo-2-(propylamino)ethyl]-4-(4-propoxyphenyl)-N-propylbutanamide is CCCNC(=O)CN(CCC)C(=O)CCC(=O)c1ccc(OCCC)cc1.
What is the InChIKey of 4-oxo-N-[2-oxo-2-(propylamino)ethyl]-4-(4-propoxyphenyl)-N-propylbutanamide?
The InChIKey is ANRDRUVNSPQERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-4-13-22-20(25)16-23(14-5-2)21(26)12-11-19(24)17-7-9-18(10-8-17)27-15-6-3/h7-10H,4-6,11-16H2,1-3H3,(H,22,25).
What are the key properties of 4-oxo-N-[2-oxo-2-(propylamino)ethyl]-4-(4-propoxyphenyl)-N-propylbutanamide?
4-oxo-N-[2-oxo-2-(propylamino)ethyl]-4-(4-propoxyphenyl)-N-propylbutanamide has a molecular weight of 376.50 g/mol, XLogP of 3.20, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-oxo-2-(propylamino)ethyl]-4-(4-propoxyphenyl)-N-propylbutanamide is sourced from PubChem (CID 55861980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).