2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide

C14H22N2O — CID 43724019

IUPAC2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
SMILESCCC(C)C(C)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C14H22N2O/c1-4-10(2)11(3)16-13-7-5-12(6-8-13)9-14(15)17/h5-8,10-11,16H,4,9H2,1-3H3,(H2,15,17)
InChIKeyPTEFFLRVJXMXEJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds6

About 2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide

2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide (PubChem CID 43724019) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
PubChem CID43724019
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
SMILESCCC(C)C(C)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C14H22N2O/c1-4-10(2)11(3)16-13-7-5-12(6-8-13)9-14(15)17/h5-8,10-11,16H,4,9H2,1-3H3,(H2,15,17)
InChIKeyPTEFFLRVJXMXEJ-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide
CID 43724150
2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid
CID 115352781
2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid
CID 66173321
2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide
CID 43683718
N-(3-methylpentan-2-yl)-4-propylaniline
CID 43096096
4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide
CID 54864938
2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
CID 64630132
(2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide
CID 95310454
2-methyl-5-[[(2R,3R)-3-methylpentan-2-yl]amino]benzamide
CID 99821197
2-methyl-5-[[(2S,3R)-3-methylpentan-2-yl]amino]benzamide
CID 99821199
N-(3-methylpentan-2-yl)-4-pentylaniline
CID 43103147
2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 61334963

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide?
The IUPAC name of 2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide (CID 43724019) is 2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide?
The canonical SMILES for 2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide is CCC(C)C(C)Nc1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide?
The InChIKey is PTEFFLRVJXMXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-10(2)11(3)16-13-7-5-12(6-8-13)9-14(15)17/h5-8,10-11,16H,4,9H2,1-3H3,(H2,15,17).
What are the key properties of 2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide?
2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide has a molecular weight of 234.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 43724019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).