N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide

C14H20N2O2 — CID 79478656

IUPACN-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC2(CO)CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-11(18)16-13-4-2-12(3-5-13)8-15-9-14(10-17)6-7-14/h2-5,15,17H,6-10H2,1H3,(H,16,18)
InChIKeyOJSUOICXWZUKFJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.51
Rot. Bonds6

About N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide

N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide (PubChem CID 79478656) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
PubChem CID79478656
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC2(CO)CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-11(18)16-13-4-2-12(3-5-13)8-15-9-14(10-17)6-7-14/h2-5,15,17H,6-10H2,1H3,(H,16,18)
InChIKeyOJSUOICXWZUKFJ-UHFFFAOYSA-N
XLogP1.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103735819
N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
CID 62865493
N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 107267189
N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide
CID 38066830
[1-[[(4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293545
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
[1-[[(4-bromophenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246905
N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 20518349
2-[(4-acetamidophenyl)methylamino]acetamide
CID 16773031
N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide
CID 79352344
2-(4-acetamidophenyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide
CID 115878692
[1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478336

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide (CID 79478656) is N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNCC2(CO)CC2)cc1.
What is the InChIKey of N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide?
The InChIKey is OJSUOICXWZUKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(18)16-13-4-2-12(3-5-13)8-15-9-14(10-17)6-7-14/h2-5,15,17H,6-10H2,1H3,(H,16,18).
What are the key properties of N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide?
N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 79478656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).