N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide

C28H40N2O7 — CID 99729951

IUPACN-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
SMILESCOc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C[C@@H](O)COc3ccccc3)CCO2)cc(OC)c1OC
InChIInChI=1S/C28H40N2O7/c1-20(2)15-30(28(32)21-13-25(33-3)27(35-5)26(14-21)34-4)18-24-17-29(11-12-36-24)16-22(31)19-37-23-9-7-6-8-10-23/h6-10,13-14,20,22,24,31H,11-12,15-19H2,1-5H3/t22-,24-/m1/s1
InChIKeyBDQGVJUWTRTLQF-ISKFKSNPSA-N
MW516.64 g/mol
LogP2.95
Rot. Bonds13

About N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide

N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide (PubChem CID 99729951) has the molecular formula C28H40N2O7 and a molecular weight of 516.64 g/mol. Its IUPAC name is N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
PubChem CID99729951
Molecular FormulaC28H40N2O7
Molecular Weight516.64 g/mol
Exact Mass516.28
IUPAC NameN-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
SMILESCOc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C[C@@H](O)COc3ccccc3)CCO2)cc(OC)c1OC
InChIInChI=1S/C28H40N2O7/c1-20(2)15-30(28(32)21-13-25(33-3)27(35-5)26(14-21)34-4)18-24-17-29(11-12-36-24)16-22(31)19-37-23-9-7-6-8-10-23/h6-10,13-14,20,22,24,31H,11-12,15-19H2,1-5H3/t22-,24-/m1/s1
InChIKeyBDQGVJUWTRTLQF-ISKFKSNPSA-N
XLogP2.95
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.64
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[(2S)-4-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 92989390
N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46060141
N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 99731545
N-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46060142
N-[[4-(2-hydroxy-3-phenoxypropyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862250
N-[[(2S)-4-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 92989372
N-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 99731560
N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 100543008
N-[[(2S)-4-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92989538
N-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42862186
N-(cyclopropylmethyl)-N-[[(2S)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 92989665
N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46059623

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide (CID 99729951) is N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide is COc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C[C@@H](O)COc3ccccc3)CCO2)cc(OC)c1OC.
What is the InChIKey of N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide?
The InChIKey is BDQGVJUWTRTLQF-ISKFKSNPSA-N. The full InChI is InChI=1S/C28H40N2O7/c1-20(2)15-30(28(32)21-13-25(33-3)27(35-5)26(14-21)34-4)18-24-17-29(11-12-36-24)16-22(31)19-37-23-9-7-6-8-10-23/h6-10,13-14,20,22,24,31H,11-12,15-19H2,1-5H3/t22-,24-/m1/s1.
What are the key properties of N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide?
N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide has a molecular weight of 516.64 g/mol, XLogP of 2.95, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 99729951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).