N-[(3S)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[ethyl(methyl)amino]propanamide

C16H24N2O2 — CID 95907268

IUPACN-[(3S)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[ethyl(methyl)amino]propanamide
SMILESCCN(C)CCC(=O)N[C@@H]1COc2c1ccc(C)c2C
InChIInChI=1S/C16H24N2O2/c1-5-18(4)9-8-15(19)17-14-10-20-16-12(3)11(2)6-7-13(14)16/h6-7,14H,5,8-10H2,1-4H3,(H,17,19)/t14-/m1/s1
InChIKeyNMBZFTXZYIDSLH-CQSZACIVSA-N
MW276.38 g/mol
LogP2.19
Rot. Bonds5

About N-[(3S)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[ethyl(methyl)amino]propanamide

N-[(3S)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[ethyl(methyl)amino]propanamide (PubChem CID 95907268) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(3S)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[ethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-[(3S)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[ethyl(methyl)amino]propanamide
PubChem CID95907268
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(3S)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[ethyl(methyl)amino]propanamide
SMILESCCN(C)CCC(=O)N[C@@H]1COc2c1ccc(C)c2C
InChIInChI=1S/C16H24N2O2/c1-5-18(4)9-8-15(19)17-14-10-20-16-12(3)11(2)6-7-13(14)16/h6-7,14H,5,8-10H2,1-4H3,(H,17,19)/t14-/m1/s1
InChIKeyNMBZFTXZYIDSLH-CQSZACIVSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[ethyl(methyl)amino]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[ethyl(methyl)amino]propanamide?
The IUPAC name of N-[(3S)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[ethyl(methyl)amino]propanamide (CID 95907268) is N-[(3S)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[ethyl(methyl)amino]propanamide.
What is the SMILES notation for N-[(3S)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[ethyl(methyl)amino]propanamide?
The canonical SMILES for N-[(3S)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[ethyl(methyl)amino]propanamide is CCN(C)CCC(=O)N[C@@H]1COc2c1ccc(C)c2C.
What is the InChIKey of N-[(3S)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[ethyl(methyl)amino]propanamide?
The InChIKey is NMBZFTXZYIDSLH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-18(4)9-8-15(19)17-14-10-20-16-12(3)11(2)6-7-13(14)16/h6-7,14H,5,8-10H2,1-4H3,(H,17,19)/t14-/m1/s1.
What are the key properties of N-[(3S)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[ethyl(methyl)amino]propanamide?
N-[(3S)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[ethyl(methyl)amino]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[ethyl(methyl)amino]propanamide is sourced from PubChem (CID 95907268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).