4-(pentan-2-ylamino)benzamide

C12H18N2O — CID 43193030

IUPAC4-(pentan-2-ylamino)benzamide
SMILESCCCC(C)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H18N2O/c1-3-4-9(2)14-11-7-5-10(6-8-11)12(13)15/h5-9,14H,3-4H2,1-2H3,(H2,13,15)
InChIKeyOCEPBGLCPRYIGY-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.39
Rot. Bonds5

About 4-(pentan-2-ylamino)benzamide

4-(pentan-2-ylamino)benzamide (PubChem CID 43193030) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(pentan-2-ylamino)benzamide.

Molecular Properties

Compound Name4-(pentan-2-ylamino)benzamide
PubChem CID43193030
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-(pentan-2-ylamino)benzamide
SMILESCCCC(C)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H18N2O/c1-3-4-9(2)14-11-7-5-10(6-8-11)12(13)15/h5-9,14H,3-4H2,1-2H3,(H2,13,15)
InChIKeyOCEPBGLCPRYIGY-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hexan-2-ylamino)benzamide
CID 43760421
N-[4-(pentan-2-ylamino)phenyl]acetamide
CID 43190900
4-(2-methylpentylamino)benzamide
CID 43201058
4-(1-aminohexan-2-ylamino)benzamide
CID 80698151
1-[4-(hexan-2-ylamino)phenyl]ethanone
CID 114468208
4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide
CID 43112977
1-[4-(hexan-2-ylamino)phenyl]propan-1-one
CID 114066677
4-(aminomethyl)-N-pentan-2-ylaniline
CID 107886094
4-(pentan-2-ylamino)benzenesulfonamide
CID 43193552
4-(hexan-2-ylamino)-N-methylbenzamide
CID 43781053
5-(heptan-2-ylamino)benzene-1,3-dicarboxamide
CID 43206266
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578

Frequently Asked Questions

What is the IUPAC name of 4-(pentan-2-ylamino)benzamide?
The IUPAC name of 4-(pentan-2-ylamino)benzamide (CID 43193030) is 4-(pentan-2-ylamino)benzamide.
What is the SMILES notation for 4-(pentan-2-ylamino)benzamide?
The canonical SMILES for 4-(pentan-2-ylamino)benzamide is CCCC(C)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(pentan-2-ylamino)benzamide?
The InChIKey is OCEPBGLCPRYIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-4-9(2)14-11-7-5-10(6-8-11)12(13)15/h5-9,14H,3-4H2,1-2H3,(H2,13,15).
What are the key properties of 4-(pentan-2-ylamino)benzamide?
4-(pentan-2-ylamino)benzamide has a molecular weight of 206.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentan-2-ylamino)benzamide is sourced from PubChem (CID 43193030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).