N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide

C22H28N2O3 — CID 129402067

IUPACN-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1
InChIInChI=1S/C22H28N2O3/c1-26-21-11-6-5-10-19(21)14-22(25)23-15-20-17-24(12-7-13-27-20)16-18-8-3-2-4-9-18/h2-6,8-11,20H,7,12-17H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyNWHPJKPHSCANJO-FQEVSTJZSA-N
MW368.48 g/mol
LogP2.64
Rot. Bonds7

About N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide

N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 129402067) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
PubChem CID129402067
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1
InChIInChI=1S/C22H28N2O3/c1-26-21-11-6-5-10-19(21)14-22(25)23-15-20-17-24(12-7-13-27-20)16-18-8-3-2-4-9-18/h2-6,8-11,20H,7,12-17H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyNWHPJKPHSCANJO-FQEVSTJZSA-N
XLogP2.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(methylcarbamoylamino)acetamide
CID 124623954
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide
CID 129479095
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 51579370
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 24640639
2-[4-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 24574968
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
CID 129402077
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 27809533
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide (CID 129402067) is N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1.
What is the InChIKey of N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is NWHPJKPHSCANJO-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-21-11-6-5-10-19(21)14-22(25)23-15-20-17-24(12-7-13-27-20)16-18-8-3-2-4-9-18/h2-6,8-11,20H,7,12-17H2,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide?
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 129402067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).