2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide

C16H22N2O3 — CID 60882437

IUPAC2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1ccc(CNC(C)C)cc1OC
InChIInChI=1S/C16H22N2O3/c1-5-8-17-16(19)11-21-14-7-6-13(9-15(14)20-4)10-18-12(2)3/h1,6-7,9,12,18H,8,10-11H2,2-4H3,(H,17,19)
InChIKeyBTSPHGGXZJQWDX-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.32
Rot. Bonds8

About 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide

2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide (PubChem CID 60882437) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
PubChem CID60882437
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1ccc(CNC(C)C)cc1OC
InChIInChI=1S/C16H22N2O3/c1-5-8-17-16(19)11-21-14-7-6-13(9-15(14)20-4)10-18-12(2)3/h1,6-7,9,12,18H,8,10-11H2,2-4H3,(H,17,19)
InChIKeyBTSPHGGXZJQWDX-UHFFFAOYSA-N
XLogP1.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.32
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-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 60882636
N-tert-butyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 17155997
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 60882435
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
N-ethyl-2-[2-methoxy-4-[[[(2R)-pentan-2-yl]amino]methyl]phenoxy]acetamide
CID 95901020
N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 43309454
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide
CID 94870303
2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide
CID 94074154
N-ethyl-2-[2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenoxy]acetamide
CID 86908275
N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 43278651
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278726

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide (CID 60882437) is 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide is C#CCNC(=O)COc1ccc(CNC(C)C)cc1OC.
What is the InChIKey of 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide?
The InChIKey is BTSPHGGXZJQWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-8-17-16(19)11-21-14-7-6-13(9-15(14)20-4)10-18-12(2)3/h1,6-7,9,12,18H,8,10-11H2,2-4H3,(H,17,19).
What are the key properties of 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide?
2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide has a molecular weight of 290.36 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-prop-2-ynylacetamide is sourced from PubChem (CID 60882437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).