4-(2-methylpentylamino)benzamide

C13H20N2O — CID 43201058

IUPAC4-(2-methylpentylamino)benzamide
SMILESCCCC(C)CNc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H20N2O/c1-3-4-10(2)9-15-12-7-5-11(6-8-12)13(14)16/h5-8,10,15H,3-4,9H2,1-2H3,(H2,14,16)
InChIKeyZGMPVRQWPMQTOZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.63
Rot. Bonds6

About 4-(2-methylpentylamino)benzamide

4-(2-methylpentylamino)benzamide (PubChem CID 43201058) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(2-methylpentylamino)benzamide.

Molecular Properties

Compound Name4-(2-methylpentylamino)benzamide
PubChem CID43201058
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-(2-methylpentylamino)benzamide
SMILESCCCC(C)CNc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H20N2O/c1-3-4-10(2)9-15-12-7-5-11(6-8-12)13(14)16/h5-8,10,15H,3-4,9H2,1-2H3,(H2,14,16)
InChIKeyZGMPVRQWPMQTOZ-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 4-(2-methylpentylamino)benzoate
CID 43684020
4-(pentan-2-ylamino)benzamide
CID 43193030
4-[(2-amino-3-hydroxybutyl)amino]benzamide
CID 64541293
N-(2-methylpentyl)-4-propan-2-ylaniline
CID 43103738
3-[(4-carbamoylanilino)methyl]pentanoic acid
CID 81065263
4-(hexan-2-ylamino)benzamide
CID 43760421
N-ethyl-3-(2-methylpentylamino)benzamide
CID 43680679
4-butyl-N-(2-methylpentyl)aniline
CID 43108404
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578
3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide
CID 43735676
4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide
CID 60897902
3-(2,4-dimethylpentylamino)benzamide
CID 114200196

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentylamino)benzamide?
The IUPAC name of 4-(2-methylpentylamino)benzamide (CID 43201058) is 4-(2-methylpentylamino)benzamide.
What is the SMILES notation for 4-(2-methylpentylamino)benzamide?
The canonical SMILES for 4-(2-methylpentylamino)benzamide is CCCC(C)CNc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(2-methylpentylamino)benzamide?
The InChIKey is ZGMPVRQWPMQTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-4-10(2)9-15-12-7-5-11(6-8-12)13(14)16/h5-8,10,15H,3-4,9H2,1-2H3,(H2,14,16).
What are the key properties of 4-(2-methylpentylamino)benzamide?
4-(2-methylpentylamino)benzamide has a molecular weight of 220.32 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentylamino)benzamide is sourced from PubChem (CID 43201058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).