N-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide

C17H29N3O — CID 71213941

IUPACN-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide
SMILESCCN(CC)CCNC(=O)CCCc1ccc(NC)cc1
InChIInChI=1S/C17H29N3O/c1-4-20(5-2)14-13-19-17(21)8-6-7-15-9-11-16(18-3)12-10-15/h9-12,18H,4-8,13-14H2,1-3H3,(H,19,21)
InChIKeyUYDMLRHHWABGAZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.51
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide

N-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide (PubChem CID 71213941) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide
PubChem CID71213941
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide
SMILESCCN(CC)CCNC(=O)CCCc1ccc(NC)cc1
InChIInChI=1S/C17H29N3O/c1-4-20(5-2)14-13-19-17(21)8-6-7-15-9-11-16(18-3)12-10-15/h9-12,18H,4-8,13-14H2,1-3H3,(H,19,21)
InChIKeyUYDMLRHHWABGAZ-UHFFFAOYSA-N
XLogP2.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3939091
N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide
CID 51362720
(2,5-dioxopyrrolidin-1-yl) 2-[4-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]phenyl]acetate
CID 167094690
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CID 108792640
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884
4-chloro-N-[2-(diethylamino)ethyl]butanamide
CID 16784552
N-[2-(diethylamino)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 110463127
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-heptylbenzamide
CID 143018159
N-[2-(diethylamino)ethyl]-16-methylheptadecanamide
CID 87505331
3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid
CID 82224433
N-[2-(diethylamino)ethyl]-4-[2-(methylamino)ethyl]benzamide
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4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide (CID 71213941) is N-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide is CCN(CC)CCNC(=O)CCCc1ccc(NC)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide?
The InChIKey is UYDMLRHHWABGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-20(5-2)14-13-19-17(21)8-6-7-15-9-11-16(18-3)12-10-15/h9-12,18H,4-8,13-14H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide?
N-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide has a molecular weight of 291.44 g/mol, XLogP of 2.51, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide is sourced from PubChem (CID 71213941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).