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

C14H22N2O2 — CID 96676188

IUPAC3-amino-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
SMILESCN(C(=O)CCN)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-12-7-5-11(6-8-12)16(4)13(17)9-10-15/h5-8H,9-10,15H2,1-4H3
InChIKeyMLGRCZDMTCGZDW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.18
Rot. Bonds4

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

3-amino-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide (PubChem CID 96676188) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
PubChem CID96676188
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
SMILESCN(C(=O)CCN)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-12-7-5-11(6-8-12)16(4)13(17)9-10-15/h5-8H,9-10,15H2,1-4H3
InChIKeyMLGRCZDMTCGZDW-UHFFFAOYSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-(4-propoxyphenyl)propanamide
CID 98784032
[4-(dimethylamino)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005383
N-(4-methoxyphenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605370
4-[5-aminopentanoyl(methyl)amino]benzoic acid
CID 104698737
4-[(6-amino-4,4-dimethylhexanoyl)-methylamino]benzoic acid
CID 104698742
N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline
CID 159776182
5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide
CID 107734249
N-[4-(3-aminopropoxy)phenyl]-N-methylpropanamide
CID 28755910
2-amino-N-methyl-N-(4-methylphenyl)acetamide
CID 22617441
4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]butan-2-one
CID 59531182
N,N-dimethyl-2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetamide
CID 71997880
4-hydroxy-N-(4-methoxyphenyl)-N-methylbutanamide
CID 79191908

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?
The IUPAC name of 3-amino-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide (CID 96676188) is 3-amino-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide.
What is the SMILES notation for 3-amino-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?
The canonical SMILES for 3-amino-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide is CN(C(=O)CCN)c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of 3-amino-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?
The InChIKey is MLGRCZDMTCGZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)18-12-7-5-11(6-8-12)16(4)13(17)9-10-15/h5-8H,9-10,15H2,1-4H3.
What are the key properties of 3-amino-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?
3-amino-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide is sourced from PubChem (CID 96676188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).