2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide

C14H22N2O2 — CID 98784381

IUPAC2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCNCC(=O)NCc1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)18-13-6-5-12(7-11(13)3)8-16-14(17)9-15-4/h5-7,10,15H,8-9H2,1-4H3,(H,16,17)
InChIKeyOWIDPSMOMWMLMP-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.62
Rot. Bonds6

About 2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide

2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 98784381) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID98784381
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCNCC(=O)NCc1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)18-13-6-5-12(7-11(13)3)8-16-14(17)9-15-4/h5-7,10,15H,8-9H2,1-4H3,(H,16,17)
InChIKeyOWIDPSMOMWMLMP-UHFFFAOYSA-N
XLogP1.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
CID 98784387
2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
CID 110782084
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate
CID 110788929
methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate
CID 119726463
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119716002
3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 115154159
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide
CID 110782111
3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 82051538
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 115152025
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide (CID 98784381) is 2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide is CNCC(=O)NCc1ccc(OC(C)C)c(C)c1.
What is the InChIKey of 2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is OWIDPSMOMWMLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)18-13-6-5-12(7-11(13)3)8-16-14(17)9-15-4/h5-7,10,15H,8-9H2,1-4H3,(H,16,17).
What are the key properties of 2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide?
2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 98784381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).