2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

C18H29N3O3 — CID 95351978

IUPAC2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CN1CCO[C@@H](CN(C)C)C1
InChIInChI=1S/C18H29N3O3/c1-19(2)12-16-13-21(9-10-24-16)14-18(22)20(3)11-15-7-5-6-8-17(15)23-4/h5-8,16H,9-14H2,1-4H3/t16-/m0/s1
InChIKeyCKSUYMNDYUNXJV-INIZCTEOSA-N
MW335.45 g/mol
LogP0.92
Rot. Bonds7

About 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 95351978) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID95351978
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CN1CCO[C@@H](CN(C)C)C1
InChIInChI=1S/C18H29N3O3/c1-19(2)12-16-13-21(9-10-24-16)14-18(22)20(3)11-15-7-5-6-8-17(15)23-4/h5-8,16H,9-14H2,1-4H3/t16-/m0/s1
InChIKeyCKSUYMNDYUNXJV-INIZCTEOSA-N
XLogP0.92
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(aminomethyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 114395074
N-[(5-chlorothiophen-2-yl)methyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylacetamide
CID 95757813
1-[(2R)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 95347452
2-(1,4-diazepan-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119906324
N-(4-fluorophenyl)-2-[4-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719305
N,N-dimethyl-1-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]methanamine
CID 95333023
2-[(2R)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979589
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
methyl 2-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetate
CID 102567692
1-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 125143071
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethoxy-3-methoxyphenyl)methyl]-N-methylacetamide
CID 91841851

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (CID 95351978) is 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is COc1ccccc1CN(C)C(=O)CN1CCO[C@@H](CN(C)C)C1.
What is the InChIKey of 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is CKSUYMNDYUNXJV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-19(2)12-16-13-21(9-10-24-16)14-18(22)20(3)11-15-7-5-6-8-17(15)23-4/h5-8,16H,9-14H2,1-4H3/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 335.45 g/mol, XLogP of 0.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 95351978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).