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

C12H16N2O2 — CID 60964232

IUPAC2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
SMILESNCC(=O)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C12H16N2O2/c13-7-12(16)14(10-4-5-10)8-9-2-1-3-11(15)6-9/h1-3,6,10,15H,4-5,7-8,13H2
InChIKeyUOTRGGDKECKWEM-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.84
Rot. Bonds4

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

2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide (PubChem CID 60964232) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
PubChem CID60964232
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
SMILESNCC(=O)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C12H16N2O2/c13-7-12(16)14(10-4-5-10)8-9-2-1-3-11(15)6-9/h1-3,6,10,15H,4-5,7-8,13H2
InChIKeyUOTRGGDKECKWEM-UHFFFAOYSA-N
XLogP0.84
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-amino-2-cyclopropyl-1-((S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-1(5H)-yl)ethanone
CID 44409904
(S)-2-amino-1-((S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-1(5H)-yl)-3-methylbutan-1-one
CID 44409903
m-Hydroxy metabolite of lacosamide
CID 156596525
O-Desmethyl-m-hydroxy-lacosamide
CID 156613579
N-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446667
3-({[3-(Dimethylamino)propyl]amino}methyl)phenol
CID 28482906
N-[(3-hydroxyphenyl)methyl]nonanamide
CID 44315769
Tert-butyl [1-(3-hydroxybenzyl)piperidin-3-yl]carbamate
CID 46785878
2-cyclohexyl-N-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 51102382
N-(cyclopropylmethyl)-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-methylacetamide
CID 53558586
N-cyclopropyl-N-ethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide
CID 53569785
2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 53571131

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide?
The IUPAC name of 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide (CID 60964232) is 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide is NCC(=O)N(Cc1cccc(O)c1)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide?
The InChIKey is UOTRGGDKECKWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-7-12(16)14(10-4-5-10)8-9-2-1-3-11(15)6-9/h1-3,6,10,15H,4-5,7-8,13H2.
What are the key properties of 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide?
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide has a molecular weight of 220.27 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 60964232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).