N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide

C14H20N2O2 — CID 110921357

IUPACN-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN(CCO)C2CC2)c1
InChIInChI=1S/C14H20N2O2/c1-11(18)15-13-4-2-3-12(9-13)10-16(7-8-17)14-5-6-14/h2-4,9,14,17H,5-8,10H2,1H3,(H,15,18)
InChIKeyAODUIXMDBYCNJC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.60
Rot. Bonds6

About N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide

N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide (PubChem CID 110921357) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide
PubChem CID110921357
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN(CCO)C2CC2)c1
InChIInChI=1S/C14H20N2O2/c1-11(18)15-13-4-2-3-12(9-13)10-16(7-8-17)14-5-6-14/h2-4,9,14,17H,5-8,10H2,1H3,(H,15,18)
InChIKeyAODUIXMDBYCNJC-UHFFFAOYSA-N
XLogP1.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]phenyl]acetamide
CID 111333629
N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide
CID 71999869
N-[3-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]acetamide
CID 71973103
3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide
CID 62016224
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 102873726
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
CID 111112920
N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide
CID 23963683
N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 86908948
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 60765143
2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol
CID 71932836

Frequently Asked Questions

What is the IUPAC name of N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide (CID 110921357) is N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CN(CCO)C2CC2)c1.
What is the InChIKey of N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide?
The InChIKey is AODUIXMDBYCNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(18)15-13-4-2-3-12(9-13)10-16(7-8-17)14-5-6-14/h2-4,9,14,17H,5-8,10H2,1H3,(H,15,18).
What are the key properties of N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide?
N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 110921357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).