2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide

C16H28N4O — CID 115544390

IUPAC2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide
SMILESCCN(CC)CCCC(C)Nc1cccc(C(N)=O)c1N
InChIInChI=1S/C16H28N4O/c1-4-20(5-2)11-7-8-12(3)19-14-10-6-9-13(15(14)17)16(18)21/h6,9-10,12,19H,4-5,7-8,11,17H2,1-3H3,(H2,18,21)
InChIKeyRMOFBGFVUAPUNL-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.29
Rot. Bonds9

About 2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide

2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide (PubChem CID 115544390) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide.

Molecular Properties

Compound Name2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide
PubChem CID115544390
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide
SMILESCCN(CC)CCCC(C)Nc1cccc(C(N)=O)c1N
InChIInChI=1S/C16H28N4O/c1-4-20(5-2)11-7-8-12(3)19-14-10-6-9-13(15(14)17)16(18)21/h6,9-10,12,19H,4-5,7-8,11,17H2,1-3H3,(H2,18,21)
InChIKeyRMOFBGFVUAPUNL-UHFFFAOYSA-N
XLogP2.29
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.29
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-amino-3-(pentan-2-ylamino)benzamide
CID 115544249
methyl 2-amino-3-(heptan-2-ylamino)benzoate
CID 113332721
ethyl 2-amino-3-(heptan-2-ylamino)benzoate
CID 115545216
2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide
CID 43199220
2-amino-3-(pentan-2-ylamino)benzoic acid
CID 115544247
(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 129412307
2-amino-3-(1-phenylethylamino)benzamide
CID 113332401
2-amino-3-(1-phenylpropylamino)benzamide
CID 115545839
2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide
CID 115546311
5-bromo-2-[5-(diethylamino)pentan-2-ylamino]benzoic acid
CID 114895437
(4S)-1-N,1-N-diethyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pentane-1,4-diamine
CID 125480311
4-N-(3-chloro-2-nitrophenyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 104835675

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide?
The IUPAC name of 2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide (CID 115544390) is 2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide.
What is the SMILES notation for 2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide?
The canonical SMILES for 2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide is CCN(CC)CCCC(C)Nc1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide?
The InChIKey is RMOFBGFVUAPUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-20(5-2)11-7-8-12(3)19-14-10-6-9-13(15(14)17)16(18)21/h6,9-10,12,19H,4-5,7-8,11,17H2,1-3H3,(H2,18,21).
What are the key properties of 2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide?
2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide has a molecular weight of 292.43 g/mol, XLogP of 2.29, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[5-(diethylamino)pentan-2-ylamino]benzamide is sourced from PubChem (CID 115544390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).