3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide

C17H26N2O2 — CID 119749830

IUPAC3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
SMILESCc1ccccc1C1(CNC(=O)CC(C)N)CCOCC1
InChIInChI=1S/C17H26N2O2/c1-13-5-3-4-6-15(13)17(7-9-21-10-8-17)12-19-16(20)11-14(2)18/h3-6,14H,7-12,18H2,1-2H3,(H,19,20)
InChIKeyMULWZRNPWRJXOO-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.90
Rot. Bonds5

About 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide

3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide (PubChem CID 119749830) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
PubChem CID119749830
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
SMILESCc1ccccc1C1(CNC(=O)CC(C)N)CCOCC1
InChIInChI=1S/C17H26N2O2/c1-13-5-3-4-6-15(13)17(7-9-21-10-8-17)12-19-16(20)11-14(2)18/h3-6,14H,7-12,18H2,1-2H3,(H,19,20)
InChIKeyMULWZRNPWRJXOO-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]butanamide;hydrochloride
CID 119777768
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119749804
2-(4-aminophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 119749794
7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide
CID 119749786
1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea
CID 110904185
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 47071147
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 120667836
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 47071137

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide (CID 119749830) is 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide is Cc1ccccc1C1(CNC(=O)CC(C)N)CCOCC1.
What is the InChIKey of 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide?
The InChIKey is MULWZRNPWRJXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-5-3-4-6-15(13)17(7-9-21-10-8-17)12-19-16(20)11-14(2)18/h3-6,14H,7-12,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide?
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide has a molecular weight of 290.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide is sourced from PubChem (CID 119749830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).