2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide

C17H26N2O3 — CID 119792549

IUPAC2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1cccc(C(O)CNC(=O)CNCC2CC2)c1
InChIInChI=1S/C17H26N2O3/c1-12(2)22-15-5-3-4-14(8-15)16(20)10-19-17(21)11-18-9-13-6-7-13/h3-5,8,12-13,16,18,20H,6-7,9-11H2,1-2H3,(H,19,21)
InChIKeyWHYYAFQXZQWMAR-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.62
Rot. Bonds9

About 2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide

2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 119792549) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID119792549
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1cccc(C(O)CNC(=O)CNCC2CC2)c1
InChIInChI=1S/C17H26N2O3/c1-12(2)22-15-5-3-4-14(8-15)16(20)10-19-17(21)11-18-9-13-6-7-13/h3-5,8,12-13,16,18,20H,6-7,9-11H2,1-2H3,(H,19,21)
InChIKeyWHYYAFQXZQWMAR-UHFFFAOYSA-N
XLogP1.62
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 111423733
2-(cyclopropylmethylamino)-N-(2-hydroxy-2-phenylethyl)acetamide;hydrochloride
CID 119676983
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 111423701
2-(3-fluoroanilino)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 97227834
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450793
2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 111755622
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939438
1-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119792524
4-[[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023484
2-(cyclohexylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 110922419
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 119765490

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide (CID 119792549) is 2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide is CC(C)Oc1cccc(C(O)CNC(=O)CNCC2CC2)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is WHYYAFQXZQWMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)22-15-5-3-4-14(8-15)16(20)10-19-17(21)11-18-9-13-6-7-13/h3-5,8,12-13,16,18,20H,6-7,9-11H2,1-2H3,(H,19,21).
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide?
2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.62, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 119792549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).