N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide

C14H20N2O — CID 115594062

IUPACN-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC2CC2C)cc1
InChIInChI=1S/C14H20N2O/c1-10-7-13(10)9-15-8-12-3-5-14(6-4-12)16-11(2)17/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyULLHOCYTUAYCHX-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.39
Rot. Bonds5

About N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide

N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide (PubChem CID 115594062) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide
PubChem CID115594062
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC2CC2C)cc1
InChIInChI=1S/C14H20N2O/c1-10-7-13(10)9-15-8-12-3-5-14(6-4-12)16-11(2)17/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyULLHOCYTUAYCHX-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide
CID 79352344
N-[4-[(cyclohex-3-en-1-ylmethylamino)methyl]phenyl]acetamide
CID 47019375
N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594150
4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 115584359
2-[(4-acetamidophenyl)methylamino]acetamide
CID 16773031
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 20518349
N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594125
N-[4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenyl]acetamide
CID 51637876
N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide
CID 115651788
N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
CID 79478656
N-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103735819

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide (CID 115594062) is N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNCC2CC2C)cc1.
What is the InChIKey of N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide?
The InChIKey is ULLHOCYTUAYCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-7-13(10)9-15-8-12-3-5-14(6-4-12)16-11(2)17/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide?
N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide has a molecular weight of 232.33 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 N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 115594062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).