N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide

C20H32N2O4 — CID 100543008

IUPACN-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(C(=O)N(CC(C)C)C[C@H]2CN(C[C@H](C)O)CCO2)cc1
InChIInChI=1S/C20H32N2O4/c1-15(2)11-22(20(24)17-5-7-18(25-4)8-6-17)14-19-13-21(9-10-26-19)12-16(3)23/h5-8,15-16,19,23H,9-14H2,1-4H3/t16-,19+/m0/s1
InChIKeyPZYQOROHQJFGDF-QFBILLFUSA-N
MW364.49 g/mol
LogP1.88
Rot. Bonds8

About N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide

N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide (PubChem CID 100543008) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
PubChem CID100543008
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC NameN-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(C(=O)N(CC(C)C)C[C@H]2CN(C[C@H](C)O)CCO2)cc1
InChIInChI=1S/C20H32N2O4/c1-15(2)11-22(20(24)17-5-7-18(25-4)8-6-17)14-19-13-21(9-10-26-19)12-16(3)23/h5-8,15-16,19,23H,9-14H2,1-4H3/t16-,19+/m0/s1
InChIKeyPZYQOROHQJFGDF-QFBILLFUSA-N
XLogP1.88
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 99732768
N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 46060121
N-[[(2S)-4-[(2R)-2-hydroxybutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 92989417
N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862249
4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92984239
N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 99731711
4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42849374
N-[[4-(2-hydroxy-3-phenoxypropyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862250
N-[[4-(2-hydroxy-3-piperidin-1-ylpropyl)morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 46060169
N-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42862186
N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 42862035
N-[[(2R)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
CID 92988860

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide (CID 100543008) is N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide is COc1ccc(C(=O)N(CC(C)C)C[C@H]2CN(C[C@H](C)O)CCO2)cc1.
What is the InChIKey of N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide?
The InChIKey is PZYQOROHQJFGDF-QFBILLFUSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-15(2)11-22(20(24)17-5-7-18(25-4)8-6-17)14-19-13-21(9-10-26-19)12-16(3)23/h5-8,15-16,19,23H,9-14H2,1-4H3/t16-,19+/m0/s1.
What are the key properties of N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide?
N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide has a molecular weight of 364.49 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 100543008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).