N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide

C15H21N3O2 — CID 110390565

IUPACN-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1nc2cc(CCC(=O)NCCN(C)C)ccc2o1
InChIInChI=1S/C15H21N3O2/c1-11-17-13-10-12(4-6-14(13)20-11)5-7-15(19)16-8-9-18(2)3/h4,6,10H,5,7-9H2,1-3H3,(H,16,19)
InChIKeyJXDYHLZVOYNGBT-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.75
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide

N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 110390565) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID110390565
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1nc2cc(CCC(=O)NCCN(C)C)ccc2o1
InChIInChI=1S/C15H21N3O2/c1-11-17-13-10-12(4-6-14(13)20-11)5-7-15(19)16-8-9-18(2)3/h4,6,10H,5,7-9H2,1-3H3,(H,16,19)
InChIKeyJXDYHLZVOYNGBT-UHFFFAOYSA-N
XLogP1.75
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390561
3-[methyl-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]amino]propanoic acid
CID 112519384
3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115173969
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390584
3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide
CID 110390639
3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 110707517
N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390579
N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115191348
N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
CID 110707496
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide
CID 110773848
N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390691
2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110707532

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide (CID 110390565) is N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide is Cc1nc2cc(CCC(=O)NCCN(C)C)ccc2o1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is JXDYHLZVOYNGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-17-13-10-12(4-6-14(13)20-11)5-7-15(19)16-8-9-18(2)3/h4,6,10H,5,7-9H2,1-3H3,(H,16,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 110390565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).