N-[(3S)-2-oxoazepan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide

C19H24N2O3 — CID 99950380

IUPACN-[(3S)-2-oxoazepan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)N[C@H]3CCCCNC3=O)coc2c1C
InChIInChI=1S/C19H24N2O3/c1-11-8-12(2)17-14(10-24-18(17)13(11)3)9-16(22)21-15-6-4-5-7-20-19(15)23/h8,10,15H,4-7,9H2,1-3H3,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeyKPPRLWHWZHDWKU-HNNXBMFYSA-N
MW328.41 g/mol
LogP2.69
Rot. Bonds3

About N-[(3S)-2-oxoazepan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide

N-[(3S)-2-oxoazepan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 99950380) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(3S)-2-oxoazepan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-2-oxoazepan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
PubChem CID99950380
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[(3S)-2-oxoazepan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)N[C@H]3CCCCNC3=O)coc2c1C
InChIInChI=1S/C19H24N2O3/c1-11-8-12(2)17-14(10-24-18(17)13(11)3)9-16(22)21-15-6-4-5-7-20-19(15)23/h8,10,15H,4-7,9H2,1-3H3,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeyKPPRLWHWZHDWKU-HNNXBMFYSA-N
XLogP2.69
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxoazepan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[(3S)-2-oxoazepan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide (CID 99950380) is N-[(3S)-2-oxoazepan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[(3S)-2-oxoazepan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[(3S)-2-oxoazepan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide is Cc1cc(C)c2c(CC(=O)N[C@H]3CCCCNC3=O)coc2c1C.
What is the InChIKey of N-[(3S)-2-oxoazepan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is KPPRLWHWZHDWKU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-11-8-12(2)17-14(10-24-18(17)13(11)3)9-16(22)21-15-6-4-5-7-20-19(15)23/h8,10,15H,4-7,9H2,1-3H3,(H,20,23)(H,21,22)/t15-/m0/s1.
What are the key properties of N-[(3S)-2-oxoazepan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
N-[(3S)-2-oxoazepan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 328.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxoazepan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 99950380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).