3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide

C16H24N2O3 — CID 119339663

IUPAC3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
SMILESCc1ccc(CNC(=O)CCN)c(OCC2CCCO2)c1
InChIInChI=1S/C16H24N2O3/c1-12-4-5-13(10-18-16(19)6-7-17)15(9-12)21-11-14-3-2-8-20-14/h4-5,9,14H,2-3,6-8,10-11,17H2,1H3,(H,18,19)
InChIKeyLQJCJKDALDTGCY-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.52
Rot. Bonds7

About 3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide

3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide (PubChem CID 119339663) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
PubChem CID119339663
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
SMILESCc1ccc(CNC(=O)CCN)c(OCC2CCCO2)c1
InChIInChI=1S/C16H24N2O3/c1-12-4-5-13(10-18-16(19)6-7-17)15(9-12)21-11-14-3-2-8-20-14/h4-5,9,14H,2-3,6-8,10-11,17H2,1H3,(H,18,19)
InChIKeyLQJCJKDALDTGCY-UHFFFAOYSA-N
XLogP1.52
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119339664
4-(aminomethyl)-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide;hydrochloride
CID 119339674
N-[[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]cyclopent-3-ene-1-carboxamide
CID 97320450
2-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977012
1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea
CID 71970329
2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120795652
4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006245
(2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 120936172
4-[[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]benzoic acid
CID 122031979
7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide
CID 119743232
N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
CID 154740250
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide (CID 119339663) is 3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide is Cc1ccc(CNC(=O)CCN)c(OCC2CCCO2)c1.
What is the InChIKey of 3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide?
The InChIKey is LQJCJKDALDTGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-4-5-13(10-18-16(19)6-7-17)15(9-12)21-11-14-3-2-8-20-14/h4-5,9,14H,2-3,6-8,10-11,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide?
3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 119339663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).