N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide

C17H26N2O — CID 79352344

IUPACN-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-12(20)19-14-8-6-13(7-9-14)10-18-11-15-16(2,3)17(15,4)5/h6-9,15,18H,10-11H2,1-5H3,(H,19,20)
InChIKeyPSACRIPXXBFJJF-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.42
Rot. Bonds5

About N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide

N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide (PubChem CID 79352344) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide
PubChem CID79352344
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-12(20)19-14-8-6-13(7-9-14)10-18-11-15-16(2,3)17(15,4)5/h6-9,15,18H,10-11H2,1-5H3,(H,19,20)
InChIKeyPSACRIPXXBFJJF-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[(2-methylcyclopropyl)methylamino]methyl]phenyl]acetamide
CID 115594062
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
N-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103735819
N-[4-[(cyclohex-3-en-1-ylmethylamino)methyl]phenyl]acetamide
CID 47019375
N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 20518349
2-[(4-acetamidophenyl)methylamino]acetamide
CID 16773031
N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
CID 79478656
3-[(4-acetamidophenyl)methylamino]propanamide
CID 43553315
N-[4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenyl]acetamide
CID 51637876
N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
CID 62865493
N-(4-acetamidophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23916671
N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 107267189

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide (CID 79352344) is N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNCC2C(C)(C)C2(C)C)cc1.
What is the InChIKey of N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide?
The InChIKey is PSACRIPXXBFJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(20)19-14-8-6-13(7-9-14)10-18-11-15-16(2,3)17(15,4)5/h6-9,15,18H,10-11H2,1-5H3,(H,19,20).
What are the key properties of N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide?
N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide has a molecular weight of 274.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 79352344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).