2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide

C16H24N2O3 — CID 110911248

IUPAC2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
SMILESCc1cccc(OCC(O)CNC(=O)CN(C)C2CC2)c1
InChIInChI=1S/C16H24N2O3/c1-12-4-3-5-15(8-12)21-11-14(19)9-17-16(20)10-18(2)13-6-7-13/h3-5,8,13-14,19H,6-7,9-11H2,1-2H3,(H,17,20)
InChIKeyAPYPTCHDLZCHSF-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.95
Rot. Bonds8

About 2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide

2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide (PubChem CID 110911248) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
PubChem CID110911248
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
SMILESCc1cccc(OCC(O)CNC(=O)CN(C)C2CC2)c1
InChIInChI=1S/C16H24N2O3/c1-12-4-3-5-15(8-12)21-11-14(19)9-17-16(20)10-18(2)13-6-7-13/h3-5,8,13-14,19H,6-7,9-11H2,1-2H3,(H,17,20)
InChIKeyAPYPTCHDLZCHSF-UHFFFAOYSA-N
XLogP0.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(methyl)amino]-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]acetamide
CID 111102915
2-[cyclopropyl(methyl)amino]-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]acetamide
CID 110911251
N-[2-hydroxy-3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
CID 119304938
N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide
CID 26005258
N-[2-hydroxy-3-(3-methylphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 110904517
2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110904498
(Z)-3-cyclopropyl-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-2-enamide
CID 110912798
3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide
CID 119751617
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 111423733
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110904505
(E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide
CID 111830233

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide (CID 110911248) is 2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide is Cc1cccc(OCC(O)CNC(=O)CN(C)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide?
The InChIKey is APYPTCHDLZCHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-4-3-5-15(8-12)21-11-14(19)9-17-16(20)10-18(2)13-6-7-13/h3-5,8,13-14,19H,6-7,9-11H2,1-2H3,(H,17,20).
What are the key properties of 2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide?
2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide has a molecular weight of 292.38 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide is sourced from PubChem (CID 110911248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).