3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide

C15H24N2O2 — CID 120873575

IUPAC3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
SMILESCC(N)CC(=O)N(C)Cc1cccc(OC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)19-14-7-5-6-13(9-14)10-17(4)15(18)8-12(3)16/h5-7,9,11-12H,8,10,16H2,1-4H3
InChIKeyZVXFNMDRZSIWKA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.17
Rot. Bonds6

About 3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide

3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide (PubChem CID 120873575) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
PubChem CID120873575
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
SMILESCC(N)CC(=O)N(C)Cc1cccc(OC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)19-14-7-5-6-13(9-14)10-17(4)15(18)8-12(3)16/h5-7,9,11-12H,8,10,16H2,1-4H3
InChIKeyZVXFNMDRZSIWKA-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]acetamide;hydrochloride
CID 86784454
3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119737530
2-methyl-3-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]-3-oxopropanoic acid
CID 122066518
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54868521
3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride
CID 119958236
3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide
CID 60963572
(3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate
CID 12963459
N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide
CID 43248665
3-amino-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116555955
2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol
CID 111336303
1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol
CID 111107920
3-amino-N-[(4-chloro-3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120873782

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The IUPAC name of 3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide (CID 120873575) is 3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The canonical SMILES for 3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide is CC(N)CC(=O)N(C)Cc1cccc(OC(C)C)c1.
What is the InChIKey of 3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The InChIKey is ZVXFNMDRZSIWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)19-14-7-5-6-13(9-14)10-17(4)15(18)8-12(3)16/h5-7,9,11-12H,8,10,16H2,1-4H3.
What are the key properties of 3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide has a molecular weight of 264.37 g/mol, XLogP of 2.17, 6 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-[(3-propan-2-yloxyphenyl)methyl]butanamide is sourced from PubChem (CID 120873575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).