2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide

C16H24N2O3 — CID 61268733

IUPAC2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide
SMILESCOc1ccc(CNC2CC2)c(OCC(=O)NC(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-11(2)18-16(19)10-21-15-8-14(20-3)7-4-12(15)9-17-13-5-6-13/h4,7-8,11,13,17H,5-6,9-10H2,1-3H3,(H,18,19)
InChIKeyKEPWLXGEHFXVAM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.85
Rot. Bonds8

About 2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide

2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide (PubChem CID 61268733) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide
PubChem CID61268733
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide
SMILESCOc1ccc(CNC2CC2)c(OCC(=O)NC(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-11(2)18-16(19)10-21-15-8-14(20-3)7-4-12(15)9-17-13-5-6-13/h4,7-8,11,13,17H,5-6,9-10H2,1-3H3,(H,18,19)
InChIKeyKEPWLXGEHFXVAM-UHFFFAOYSA-N
XLogP1.85
TPSA59.59 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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
CID 61484961
N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 82927332
2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 60877796
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 61267812
N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 61267827
2-(cyclopentylamino)-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 63362881
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890884
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
2-[2-(2-aminopropyl)-4-methoxyphenoxy]-N-cyclopropylacetamide
CID 60906462
1-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114491542

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide (CID 61268733) is 2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide is COc1ccc(CNC2CC2)c(OCC(=O)NC(C)C)c1.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide?
The InChIKey is KEPWLXGEHFXVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)18-16(19)10-21-15-8-14(20-3)7-4-12(15)9-17-13-5-6-13/h4,7-8,11,13,17H,5-6,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide?
2-[2-[(cyclopropylamino)methyl]-5-methoxyphenoxy]-N-propan-2-ylacetamide has a molecular weight of 292.38 g/mol, XLogP of 1.85, 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]-5-methoxyphenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 61268733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).