N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide

C14H22N2O — CID 43201157

IUPACN-[3-(3-methylpentan-2-ylamino)phenyl]acetamide
SMILESCCC(C)C(C)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C14H22N2O/c1-5-10(2)11(3)15-13-7-6-8-14(9-13)16-12(4)17/h6-11,15H,5H2,1-4H3,(H,16,17)
InChIKeyXKOASUYUHRYWKE-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.49
Rot. Bonds5

About N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide

N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide (PubChem CID 43201157) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-methylpentan-2-ylamino)phenyl]acetamide
PubChem CID43201157
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[3-(3-methylpentan-2-ylamino)phenyl]acetamide
SMILESCCC(C)C(C)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C14H22N2O/c1-5-10(2)11(3)15-13-7-6-8-14(9-13)16-12(4)17/h6-11,15H,5H2,1-4H3,(H,16,17)
InChIKeyXKOASUYUHRYWKE-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
CID 174839462
methyl butaneperoxoate;N-[3-(propan-2-ylamino)phenyl]acetamide
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3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125
N-[3-(1-phenylethylamino)phenyl]acetamide
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N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide
CID 62728455
N-[3-(1-cyanopropan-2-ylamino)phenyl]acetamide
CID 60914306
N-[3-[1-(4-chlorophenyl)propylamino]phenyl]acetamide
CID 43095855
N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62851264
2-(3-acetamidoanilino)-N-propan-2-ylpropanamide
CID 43084802
N-[3-(1-cyclopropylpropan-2-ylamino)phenyl]acetamide
CID 115916889
methyl 2-(3-acetamidoanilino)hexanoate
CID 103868306
2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide
CID 43683718

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide?
The IUPAC name of N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide (CID 43201157) is N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide?
The canonical SMILES for N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide is CCC(C)C(C)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide?
The InChIKey is XKOASUYUHRYWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-10(2)11(3)15-13-7-6-8-14(9-13)16-12(4)17/h6-11,15H,5H2,1-4H3,(H,16,17).
What are the key properties of N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide?
N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide has a molecular weight of 234.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 43201157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).