3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide

C14H22N2O2 — CID 98784394

IUPAC3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
SMILESCNCCC(=O)Nc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-12-7-5-11(6-8-12)16-13(17)9-10-15-4/h5-8,15H,9-10H2,1-4H3,(H,16,17)
InChIKeyIVJUGVBARHTFBV-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.41
Rot. Bonds5

About 3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide

3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide (PubChem CID 98784394) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
PubChem CID98784394
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
SMILESCNCCC(=O)Nc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-12-7-5-11(6-8-12)16-13(17)9-10-15-4/h5-8,15H,9-10H2,1-4H3,(H,16,17)
InChIKeyIVJUGVBARHTFBV-UHFFFAOYSA-N
XLogP2.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 110480815
2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride
CID 119752817
2-methyl-2-[4-[3-(methylamino)propanoylamino]phenyl]propanoic acid
CID 80554677
3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamoylamino]propanoic acid
CID 98035192
5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide
CID 20630752
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-phenylacetamide
CID 21043279
N-(4-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110437429
methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
CID 67274992
methyl 4-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]benzoate
CID 110437454
2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide
CID 110481366
3-(methylamino)-N-(6-methylnaphthalen-2-yl)propanamide
CID 115153197
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?
The IUPAC name of 3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide (CID 98784394) is 3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide.
What is the SMILES notation for 3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?
The canonical SMILES for 3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide is CNCCC(=O)Nc1ccc(OC(C)(C)C)cc1.
What is the InChIKey of 3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?
The InChIKey is IVJUGVBARHTFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)18-12-7-5-11(6-8-12)16-13(17)9-10-15-4/h5-8,15H,9-10H2,1-4H3,(H,16,17).
What are the key properties of 3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?
3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide is sourced from PubChem (CID 98784394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).