N-[2-methyl-4-[[(3R)-2-oxoazepan-3-yl]amino]phenyl]acetamide

C15H21N3O2 — CID 25344003

IUPACN-[2-methyl-4-[[(3R)-2-oxoazepan-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N[C@@H]2CCCCNC2=O)cc1C
InChIInChI=1S/C15H21N3O2/c1-10-9-12(6-7-13(10)17-11(2)19)18-14-5-3-4-8-16-15(14)20/h6-7,9,14,18H,3-5,8H2,1-2H3,(H,16,20)(H,17,19)/t14-/m1/s1
InChIKeyGSKWPOFBUKHVDH-CQSZACIVSA-N
MW275.35 g/mol
LogP2.03
Rot. Bonds3

About N-[2-methyl-4-[[(3R)-2-oxoazepan-3-yl]amino]phenyl]acetamide

N-[2-methyl-4-[[(3R)-2-oxoazepan-3-yl]amino]phenyl]acetamide (PubChem CID 25344003) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-methyl-4-[[(3R)-2-oxoazepan-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-4-[[(3R)-2-oxoazepan-3-yl]amino]phenyl]acetamide
PubChem CID25344003
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[2-methyl-4-[[(3R)-2-oxoazepan-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N[C@@H]2CCCCNC2=O)cc1C
InChIInChI=1S/C15H21N3O2/c1-10-9-12(6-7-13(10)17-11(2)19)18-14-5-3-4-8-16-15(14)20/h6-7,9,14,18H,3-5,8H2,1-2H3,(H,16,20)(H,17,19)/t14-/m1/s1
InChIKeyGSKWPOFBUKHVDH-CQSZACIVSA-N
XLogP2.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[[(3R)-2-oxoazepan-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[2-methyl-4-[[(3R)-2-oxoazepan-3-yl]amino]phenyl]acetamide (CID 25344003) is N-[2-methyl-4-[[(3R)-2-oxoazepan-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-4-[[(3R)-2-oxoazepan-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-4-[[(3R)-2-oxoazepan-3-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(N[C@@H]2CCCCNC2=O)cc1C.
What is the InChIKey of N-[2-methyl-4-[[(3R)-2-oxoazepan-3-yl]amino]phenyl]acetamide?
The InChIKey is GSKWPOFBUKHVDH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-9-12(6-7-13(10)17-11(2)19)18-14-5-3-4-8-16-15(14)20/h6-7,9,14,18H,3-5,8H2,1-2H3,(H,16,20)(H,17,19)/t14-/m1/s1.
What are the key properties of N-[2-methyl-4-[[(3R)-2-oxoazepan-3-yl]amino]phenyl]acetamide?
N-[2-methyl-4-[[(3R)-2-oxoazepan-3-yl]amino]phenyl]acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[[(3R)-2-oxoazepan-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 25344003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).