2-amino-N-[2-(diethylamino)ethyl]-5-(2-ethylbutanoylamino)benzamide

C19H32N4O2 — CID 123784863

IUPAC2-amino-N-[2-(diethylamino)ethyl]-5-(2-ethylbutanoylamino)benzamide
SMILESCCC(CC)C(=O)Nc1ccc(N)c(C(=O)NCCN(CC)CC)c1
InChIInChI=1S/C19H32N4O2/c1-5-14(6-2)18(24)22-15-9-10-17(20)16(13-15)19(25)21-11-12-23(7-3)8-4/h9-10,13-14H,5-8,11-12,20H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyAYOXIEZBOYWOPX-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.72
Rot. Bonds10

About 2-amino-N-[2-(diethylamino)ethyl]-5-(2-ethylbutanoylamino)benzamide

2-amino-N-[2-(diethylamino)ethyl]-5-(2-ethylbutanoylamino)benzamide (PubChem CID 123784863) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-amino-N-[2-(diethylamino)ethyl]-5-(2-ethylbutanoylamino)benzamide.

Molecular Properties

Compound Name2-amino-N-[2-(diethylamino)ethyl]-5-(2-ethylbutanoylamino)benzamide
PubChem CID123784863
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name2-amino-N-[2-(diethylamino)ethyl]-5-(2-ethylbutanoylamino)benzamide
SMILESCCC(CC)C(=O)Nc1ccc(N)c(C(=O)NCCN(CC)CC)c1
InChIInChI=1S/C19H32N4O2/c1-5-14(6-2)18(24)22-15-9-10-17(20)16(13-15)19(25)21-11-12-23(7-3)8-4/h9-10,13-14H,5-8,11-12,20H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyAYOXIEZBOYWOPX-UHFFFAOYSA-N
XLogP2.72
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,5-diamino-N-[2-(diethylamino)ethyl]benzamide
CID 21398311
3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide
CID 143395890
4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
CID 102129592
N-(3-amino-4-ethylphenyl)-2-ethylbutanamide
CID 28866738
2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide
CID 110485996
5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide
CID 3391950
N-(3,4-dibromophenyl)-2-ethylbutanamide
CID 3701645
N-[2-(diethylamino)ethyl]-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42756097
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827857
3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide
CID 42747665
N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42756110

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(diethylamino)ethyl]-5-(2-ethylbutanoylamino)benzamide?
The IUPAC name of 2-amino-N-[2-(diethylamino)ethyl]-5-(2-ethylbutanoylamino)benzamide (CID 123784863) is 2-amino-N-[2-(diethylamino)ethyl]-5-(2-ethylbutanoylamino)benzamide.
What is the SMILES notation for 2-amino-N-[2-(diethylamino)ethyl]-5-(2-ethylbutanoylamino)benzamide?
The canonical SMILES for 2-amino-N-[2-(diethylamino)ethyl]-5-(2-ethylbutanoylamino)benzamide is CCC(CC)C(=O)Nc1ccc(N)c(C(=O)NCCN(CC)CC)c1.
What is the InChIKey of 2-amino-N-[2-(diethylamino)ethyl]-5-(2-ethylbutanoylamino)benzamide?
The InChIKey is AYOXIEZBOYWOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-5-14(6-2)18(24)22-15-9-10-17(20)16(13-15)19(25)21-11-12-23(7-3)8-4/h9-10,13-14H,5-8,11-12,20H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 2-amino-N-[2-(diethylamino)ethyl]-5-(2-ethylbutanoylamino)benzamide?
2-amino-N-[2-(diethylamino)ethyl]-5-(2-ethylbutanoylamino)benzamide has a molecular weight of 348.49 g/mol, XLogP of 2.72, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(diethylamino)ethyl]-5-(2-ethylbutanoylamino)benzamide is sourced from PubChem (CID 123784863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).