2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide

C13H18N2O3 — CID 60796181

IUPAC2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)cc(C(NC2CC2)C(N)=O)c1
InChIInChI=1S/C13H18N2O3/c1-17-10-5-8(6-11(7-10)18-2)12(13(14)16)15-9-3-4-9/h5-7,9,12,15H,3-4H2,1-2H3,(H2,14,16)
InChIKeyIKTZWLODXORIPN-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.98
Rot. Bonds6

About 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide

2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide (PubChem CID 60796181) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide
PubChem CID60796181
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)cc(C(NC2CC2)C(N)=O)c1
InChIInChI=1S/C13H18N2O3/c1-17-10-5-8(6-11(7-10)18-2)12(13(14)16)15-9-3-4-9/h5-7,9,12,15H,3-4H2,1-2H3,(H2,14,16)
InChIKeyIKTZWLODXORIPN-UHFFFAOYSA-N
XLogP0.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 58785891
methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate
CID 60797315
2-(cyclopropylamino)-2-(4-propan-2-yloxyphenyl)acetamide
CID 54937644
2-(3,5-dimethoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 54891131
2-chloro-N-cyclopropyl-2-(3,5-dimethoxyphenyl)acetamide
CID 55048151
2-(cycloheptylamino)-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 60997345
2-(cyclohexylamino)-2-(6-methoxy-3-pyridinyl)acetamide
CID 114937363
methyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate
CID 54918830
2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 43754550
2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 43754392
1,3,5-trimethoxybenzene;urea
CID 174919725
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide (CID 60796181) is 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide is COc1cc(OC)cc(C(NC2CC2)C(N)=O)c1.
What is the InChIKey of 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is IKTZWLODXORIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-10-5-8(6-11(7-10)18-2)12(13(14)16)15-9-3-4-9/h5-7,9,12,15H,3-4H2,1-2H3,(H2,14,16).
What are the key properties of 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide?
2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 60796181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).