N-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide

C29H33N3O4 — CID 26348511

IUPACN-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(CNCc2cccc(Oc3ccccc3)c2)cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C29H33N3O4/c1-20-18-32(19-21(2)35-20)29(34)25-12-24(13-26(15-25)31-22(3)33)17-30-16-23-8-7-11-28(14-23)36-27-9-5-4-6-10-27/h4-15,20-21,30H,16-19H2,1-3H3,(H,31,33)/t20-,21+
InChIKeyKSQGTMJWZAXQMZ-OYRHEFFESA-N
MW487.60 g/mol
LogP4.98
Rot. Bonds8

About N-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide

N-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide (PubChem CID 26348511) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide
PubChem CID26348511
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC NameN-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(CNCc2cccc(Oc3ccccc3)c2)cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C29H33N3O4/c1-20-18-32(19-21(2)35-20)29(34)25-12-24(13-26(15-25)31-22(3)33)17-30-16-23-8-7-11-28(14-23)36-27-9-5-4-6-10-27/h4-15,20-21,30H,16-19H2,1-3H3,(H,31,33)/t20-,21+
InChIKeyKSQGTMJWZAXQMZ-OYRHEFFESA-N
XLogP4.98
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide with MolForge

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Related Compounds

N-[3-(4-methylpiperazine-1-carbonyl)-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide
CID 30852314
N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide
CID 25291916
N-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 18108345
3-[[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]methyl]benzoic acid
CID 122030703
3-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122033836
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 47985084
4-acetamido-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39022053
(2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 94387178
(2,6-dimethylmorpholin-4-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 90596689
N-ethyl-2-[(3-phenoxyphenyl)methylamino]acetamide
CID 43398912
(2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993576
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 41292535

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide (CID 26348511) is N-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide is CC(=O)Nc1cc(CNCc2cccc(Oc3ccccc3)c2)cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of N-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide?
The InChIKey is KSQGTMJWZAXQMZ-OYRHEFFESA-N. The full InChI is InChI=1S/C29H33N3O4/c1-20-18-32(19-21(2)35-20)29(34)25-12-24(13-26(15-25)31-22(3)33)17-30-16-23-8-7-11-28(14-23)36-27-9-5-4-6-10-27/h4-15,20-21,30H,16-19H2,1-3H3,(H,31,33)/t20-,21+.
What are the key properties of N-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide?
N-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide has a molecular weight of 487.60 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 26348511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).