N-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide

C27H33N3O3 — CID 139685675

IUPACN-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide
SMILESCN(CCN(C)C(=O)C(c1ccccc1)c1ccccc1)CC(O)COCc1ccncc1
InChIInChI=1S/C27H33N3O3/c1-29(19-25(31)21-33-20-22-13-15-28-16-14-22)17-18-30(2)27(32)26(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,25-26,31H,17-21H2,1-2H3
InChIKeyLXXWRDMFPGMHPF-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.18
Rot. Bonds12

About N-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide

N-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide (PubChem CID 139685675) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide
PubChem CID139685675
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide
SMILESCN(CCN(C)C(=O)C(c1ccccc1)c1ccccc1)CC(O)COCc1ccncc1
InChIInChI=1S/C27H33N3O3/c1-29(19-25(31)21-33-20-22-13-15-28-16-14-22)17-18-30(2)27(32)26(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,25-26,31H,17-21H2,1-2H3
InChIKeyLXXWRDMFPGMHPF-UHFFFAOYSA-N
XLogP3.18
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
CID 95356220
1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol
CID 106991778
N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide
CID 111595938
1-[2-[2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]ethyl]-5-methyl-1H-imidazol-4-yl]ethanone
CID 97066525
N-(2-hydroxy-3-phenylmethoxypropyl)-N-methyl-1-oxidopyridin-1-ium-3-carboxamide
CID 111595977
1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol
CID 111333519
N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide
CID 111695707
6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid
CID 119182403
N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide
CID 96547844
(2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 95629005
(2S)-1-[2-chloroprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 95629006

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide?
The IUPAC name of N-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide (CID 139685675) is N-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide is CN(CCN(C)C(=O)C(c1ccccc1)c1ccccc1)CC(O)COCc1ccncc1.
What is the InChIKey of N-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide?
The InChIKey is LXXWRDMFPGMHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-29(19-25(31)21-33-20-22-13-15-28-16-14-22)17-18-30(2)27(32)26(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,25-26,31H,17-21H2,1-2H3.
What are the key properties of N-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide?
N-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide has a molecular weight of 447.58 g/mol, XLogP of 3.18, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-hydroxy-3-(pyridin-4-ylmethoxy)propyl]-methylamino]ethyl]-N-methyl-2,2-diphenylacetamide is sourced from PubChem (CID 139685675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).