3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide

C15H20N2O2 — CID 110791042

IUPAC3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide
SMILESCc1nc2ccc(CCNC(=O)CC(C)C)cc2o1
InChIInChI=1S/C15H20N2O2/c1-10(2)8-15(18)16-7-6-12-4-5-13-14(9-12)19-11(3)17-13/h4-5,9-10H,6-8H2,1-3H3,(H,16,18)
InChIKeyMPJGMJBJSQPZEK-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.84
Rot. Bonds5

About 3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide

3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide (PubChem CID 110791042) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide
PubChem CID110791042
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide
SMILESCc1nc2ccc(CCNC(=O)CC(C)C)cc2o1
InChIInChI=1S/C15H20N2O2/c1-10(2)8-15(18)16-7-6-12-4-5-13-14(9-12)19-11(3)17-13/h4-5,9-10H,6-8H2,1-3H3,(H,16,18)
InChIKeyMPJGMJBJSQPZEK-UHFFFAOYSA-N
XLogP2.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791037
2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791067
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide
CID 110790910
1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea
CID 115169390
2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791108
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110791040
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide
CID 110791080
3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791095
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 110479562
N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 115271704
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide
CID 110773848
N-methyl-N'-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]methanediamine
CID 115227219

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide (CID 110791042) is 3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide is Cc1nc2ccc(CCNC(=O)CC(C)C)cc2o1.
What is the InChIKey of 3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide?
The InChIKey is MPJGMJBJSQPZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)8-15(18)16-7-6-12-4-5-13-14(9-12)19-11(3)17-13/h4-5,9-10H,6-8H2,1-3H3,(H,16,18).
What are the key properties of 3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide?
3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide has a molecular weight of 260.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide is sourced from PubChem (CID 110791042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).