2-[4-[[3-[3-(methylamino)-2-oxoazepan-1-yl]-2-oxopropyl]amino]phenyl]acetamide

C18H26N4O3 — CID 59950585

IUPAC2-[4-[[3-[3-(methylamino)-2-oxoazepan-1-yl]-2-oxopropyl]amino]phenyl]acetamide
SMILESCNC1CCCCN(CC(=O)CNc2ccc(CC(N)=O)cc2)C1=O
InChIInChI=1S/C18H26N4O3/c1-20-16-4-2-3-9-22(18(16)25)12-15(23)11-21-14-7-5-13(6-8-14)10-17(19)24/h5-8,16,20-21H,2-4,9-12H2,1H3,(H2,19,24)
InChIKeySGDQWSHUUFWTKL-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.30
Rot. Bonds8

About 2-[4-[[3-[3-(methylamino)-2-oxoazepan-1-yl]-2-oxopropyl]amino]phenyl]acetamide

2-[4-[[3-[3-(methylamino)-2-oxoazepan-1-yl]-2-oxopropyl]amino]phenyl]acetamide (PubChem CID 59950585) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[4-[[3-[3-(methylamino)-2-oxoazepan-1-yl]-2-oxopropyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[3-[3-(methylamino)-2-oxoazepan-1-yl]-2-oxopropyl]amino]phenyl]acetamide
PubChem CID59950585
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-[4-[[3-[3-(methylamino)-2-oxoazepan-1-yl]-2-oxopropyl]amino]phenyl]acetamide
SMILESCNC1CCCCN(CC(=O)CNc2ccc(CC(N)=O)cc2)C1=O
InChIInChI=1S/C18H26N4O3/c1-20-16-4-2-3-9-22(18(16)25)12-15(23)11-21-14-7-5-13(6-8-14)10-17(19)24/h5-8,16,20-21H,2-4,9-12H2,1H3,(H2,19,24)
InChIKeySGDQWSHUUFWTKL-UHFFFAOYSA-N
XLogP0.30
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-Cyclopropylmethyl-2-methyl-N'-(5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin 7-yl)-malonamide
CID 11257831
4-acetyl-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
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Iem 611
CID 39794
N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[3-(methylamino)-2-oxoazepan-1-yl]-2-oxopropyl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[3-[3-(methylamino)-2-oxoazepan-1-yl]-2-oxopropyl]amino]phenyl]acetamide (CID 59950585) is 2-[4-[[3-[3-(methylamino)-2-oxoazepan-1-yl]-2-oxopropyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[3-[3-(methylamino)-2-oxoazepan-1-yl]-2-oxopropyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[3-[3-(methylamino)-2-oxoazepan-1-yl]-2-oxopropyl]amino]phenyl]acetamide is CNC1CCCCN(CC(=O)CNc2ccc(CC(N)=O)cc2)C1=O.
What is the InChIKey of 2-[4-[[3-[3-(methylamino)-2-oxoazepan-1-yl]-2-oxopropyl]amino]phenyl]acetamide?
The InChIKey is SGDQWSHUUFWTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-20-16-4-2-3-9-22(18(16)25)12-15(23)11-21-14-7-5-13(6-8-14)10-17(19)24/h5-8,16,20-21H,2-4,9-12H2,1H3,(H2,19,24).
What are the key properties of 2-[4-[[3-[3-(methylamino)-2-oxoazepan-1-yl]-2-oxopropyl]amino]phenyl]acetamide?
2-[4-[[3-[3-(methylamino)-2-oxoazepan-1-yl]-2-oxopropyl]amino]phenyl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 0.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-[3-(methylamino)-2-oxoazepan-1-yl]-2-oxopropyl]amino]phenyl]acetamide is sourced from PubChem (CID 59950585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).