2-(cyclopropylamino)-N-[2-[4-(hydroxymethyl)phenyl]ethyl]acetamide

C14H20N2O2 — CID 110012576

IUPAC2-(cyclopropylamino)-N-[2-[4-(hydroxymethyl)phenyl]ethyl]acetamide
SMILESO=C(CNC1CC1)NCCc1ccc(CO)cc1
InChIInChI=1S/C14H20N2O2/c17-10-12-3-1-11(2-4-12)7-8-15-14(18)9-16-13-5-6-13/h1-4,13,16-17H,5-10H2,(H,15,18)
InChIKeyQDFBOLGQNMABFY-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.59
Rot. Bonds7

About 2-(cyclopropylamino)-N-[2-[4-(hydroxymethyl)phenyl]ethyl]acetamide

2-(cyclopropylamino)-N-[2-[4-(hydroxymethyl)phenyl]ethyl]acetamide (PubChem CID 110012576) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[2-[4-(hydroxymethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[2-[4-(hydroxymethyl)phenyl]ethyl]acetamide
PubChem CID110012576
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(cyclopropylamino)-N-[2-[4-(hydroxymethyl)phenyl]ethyl]acetamide
SMILESO=C(CNC1CC1)NCCc1ccc(CO)cc1
InChIInChI=1S/C14H20N2O2/c17-10-12-3-1-11(2-4-12)7-8-15-14(18)9-16-13-5-6-13/h1-4,13,16-17H,5-10H2,(H,15,18)
InChIKeyQDFBOLGQNMABFY-UHFFFAOYSA-N
XLogP0.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide
CID 115158528
N-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide
CID 115158540
2-(cyclopropylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 60671964
2-(cyclopentylamino)-N-(2-pyridin-3-ylethyl)acetamide
CID 60912902
2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60647225
2-(cyclopropylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 106397634
N-[2-(4-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 61260038
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-(methylamino)acetamide
CID 119741723
4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid
CID 60810022
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide
CID 119164761
N-[2-[4-(hydroxymethyl)phenyl]ethyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110022034
2-(cyclopropylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384770

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[2-[4-(hydroxymethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[2-[4-(hydroxymethyl)phenyl]ethyl]acetamide (CID 110012576) is 2-(cyclopropylamino)-N-[2-[4-(hydroxymethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[2-[4-(hydroxymethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[2-[4-(hydroxymethyl)phenyl]ethyl]acetamide is O=C(CNC1CC1)NCCc1ccc(CO)cc1.
What is the InChIKey of 2-(cyclopropylamino)-N-[2-[4-(hydroxymethyl)phenyl]ethyl]acetamide?
The InChIKey is QDFBOLGQNMABFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-10-12-3-1-11(2-4-12)7-8-15-14(18)9-16-13-5-6-13/h1-4,13,16-17H,5-10H2,(H,15,18).
What are the key properties of 2-(cyclopropylamino)-N-[2-[4-(hydroxymethyl)phenyl]ethyl]acetamide?
2-(cyclopropylamino)-N-[2-[4-(hydroxymethyl)phenyl]ethyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[2-[4-(hydroxymethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 110012576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).