3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide

C17H28N4O2 — CID 119847657

IUPAC3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1cccc(NC(=O)C(C)(C)N)c1
InChIInChI=1S/C17H28N4O2/c1-5-21(6-2)11-10-19-15(22)13-8-7-9-14(12-13)20-16(23)17(3,4)18/h7-9,12H,5-6,10-11,18H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyIRXZGTDVXBXSIN-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.43
Rot. Bonds8

About 3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide

3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 119847657) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
PubChem CID119847657
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1cccc(NC(=O)C(C)(C)N)c1
InChIInChI=1S/C17H28N4O2/c1-5-21(6-2)11-10-19-15(22)13-8-7-9-14(12-13)20-16(23)17(3,4)18/h7-9,12H,5-6,10-11,18H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyIRXZGTDVXBXSIN-UHFFFAOYSA-N
XLogP1.43
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827825
3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119847686
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408
3-[(2-amino-2-phenylpropanoyl)amino]-N-propylbenzamide
CID 120588231
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 13140655
3-[2-(diethylamino)ethylamino]benzamide
CID 107811316
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-[2-(diethylamino)ethyl]-3-phenoxybenzamide
CID 12941795
3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 25497310
(2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide
CID 120939024
N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 50783608

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of 3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide (CID 119847657) is 3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for 3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for 3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCNC(=O)c1cccc(NC(=O)C(C)(C)N)c1.
What is the InChIKey of 3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is IRXZGTDVXBXSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-5-21(6-2)11-10-19-15(22)13-8-7-9-14(12-13)20-16(23)17(3,4)18/h7-9,12H,5-6,10-11,18H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide?
3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 320.44 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 119847657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).