N-[4-(pentan-2-ylamino)phenyl]acetamide

C13H20N2O — CID 43190900

IUPACN-[4-(pentan-2-ylamino)phenyl]acetamide
SMILESCCCC(C)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H20N2O/c1-4-5-10(2)14-12-6-8-13(9-7-12)15-11(3)16/h6-10,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyRAWZOQOIUFNZQB-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.25
Rot. Bonds5

About N-[4-(pentan-2-ylamino)phenyl]acetamide

N-[4-(pentan-2-ylamino)phenyl]acetamide (PubChem CID 43190900) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[4-(pentan-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(pentan-2-ylamino)phenyl]acetamide
PubChem CID43190900
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[4-(pentan-2-ylamino)phenyl]acetamide
SMILESCCCC(C)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H20N2O/c1-4-5-10(2)14-12-6-8-13(9-7-12)15-11(3)16/h6-10,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyRAWZOQOIUFNZQB-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetamido-N-pentan-2-ylbenzamide
CID 2885822
4-(pentan-2-ylamino)benzamide
CID 43193030
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
N-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
CID 64630713
4-fluoro-N-pentan-2-ylaniline
CID 15724808
1-[4-(hexan-2-ylamino)phenyl]ethanone
CID 114468208
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
2-[4-(pentan-2-ylamino)phenyl]ethanol
CID 61237126
4-(aminomethyl)-N-pentan-2-ylaniline
CID 107886094
N-[4-(butan-2-ylamino)phenyl]butanamide
CID 112980445
4-(pentan-2-ylamino)benzenesulfonamide
CID 43193552
N-[4-[(1S)-1-aminobutyl]phenyl]acetamide;hydrochloride
CID 171226181

Frequently Asked Questions

What is the IUPAC name of N-[4-(pentan-2-ylamino)phenyl]acetamide?
The IUPAC name of N-[4-(pentan-2-ylamino)phenyl]acetamide (CID 43190900) is N-[4-(pentan-2-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-(pentan-2-ylamino)phenyl]acetamide?
The canonical SMILES for N-[4-(pentan-2-ylamino)phenyl]acetamide is CCCC(C)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(pentan-2-ylamino)phenyl]acetamide?
The InChIKey is RAWZOQOIUFNZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-5-10(2)14-12-6-8-13(9-7-12)15-11(3)16/h6-10,14H,4-5H2,1-3H3,(H,15,16).
What are the key properties of N-[4-(pentan-2-ylamino)phenyl]acetamide?
N-[4-(pentan-2-ylamino)phenyl]acetamide has a molecular weight of 220.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pentan-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 43190900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).