2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide

C16H20N2O3 — CID 60877796

IUPAC2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1ccc(OC)cc1CNC1CC1
InChIInChI=1S/C16H20N2O3/c1-3-8-17-16(19)11-21-15-7-6-14(20-2)9-12(15)10-18-13-4-5-13/h1,6-7,9,13,18H,4-5,8,10-11H2,2H3,(H,17,19)
InChIKeyOSHGWAOHWRFTCM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.08
Rot. Bonds8

About 2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide

2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide (PubChem CID 60877796) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide
PubChem CID60877796
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1ccc(OC)cc1CNC1CC1
InChIInChI=1S/C16H20N2O3/c1-3-8-17-16(19)11-21-15-7-6-14(20-2)9-12(15)10-18-13-4-5-13/h1,6-7,9,13,18H,4-5,8,10-11H2,2H3,(H,17,19)
InChIKeyOSHGWAOHWRFTCM-UHFFFAOYSA-N
XLogP1.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide
CID 61268733
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115953715
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 61268381
1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2-methylbutan-2-ol
CID 114491540
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114491542
N-[[2-(2-ethylbutoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 82926714
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 81106162

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide (CID 60877796) is 2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide is C#CCNC(=O)COc1ccc(OC)cc1CNC1CC1.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide?
The InChIKey is OSHGWAOHWRFTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-8-17-16(19)11-21-15-7-6-14(20-2)9-12(15)10-18-13-4-5-13/h1,6-7,9,13,18H,4-5,8,10-11H2,2H3,(H,17,19).
What are the key properties of 2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide?
2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide has a molecular weight of 288.35 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide is sourced from PubChem (CID 60877796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).