N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide

C19H25NO3 — CID 119048266

IUPACN-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide
SMILESCc1c([C@@H](C)NC(=O)CCC2CCOCC2)oc2ccccc12
InChIInChI=1S/C19H25NO3/c1-13-16-5-3-4-6-17(16)23-19(13)14(2)20-18(21)8-7-15-9-11-22-12-10-15/h3-6,14-15H,7-12H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyPLXJOTAJXBTXHB-CQSZACIVSA-N
MW315.41 g/mol
LogP4.13
Rot. Bonds5

About N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide

N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide (PubChem CID 119048266) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide
PubChem CID119048266
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide
SMILESCc1c([C@@H](C)NC(=O)CCC2CCOCC2)oc2ccccc12
InChIInChI=1S/C19H25NO3/c1-13-16-5-3-4-6-17(16)23-19(13)14(2)20-18(21)8-7-15-9-11-22-12-10-15/h3-6,14-15H,7-12H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyPLXJOTAJXBTXHB-CQSZACIVSA-N
XLogP4.13
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide
CID 99833499
3-(oxan-4-yl)-N-(1-phenylethyl)propanamide
CID 84578473
1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 104538015
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(3-methyloxetan-3-yl)urea
CID 166532779
N-benzhydryl-3-(oxan-4-yl)propanamide
CID 84577345
N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
CID 18198408
2-[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120701736
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide
CID 87006668
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methylsulfonylcyclohexyl)urea
CID 166532576
1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methylsulfonylcyclohexyl)urea
CID 166532648
1-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119737250
(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
CID 119737273

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide?
The IUPAC name of N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide (CID 119048266) is N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide is Cc1c([C@@H](C)NC(=O)CCC2CCOCC2)oc2ccccc12.
What is the InChIKey of N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide?
The InChIKey is PLXJOTAJXBTXHB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25NO3/c1-13-16-5-3-4-6-17(16)23-19(13)14(2)20-18(21)8-7-15-9-11-22-12-10-15/h3-6,14-15H,7-12H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide?
N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide has a molecular weight of 315.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 119048266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).