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

C28H40N2O6 — CID 46060141

IUPACN-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
SMILESCOc1cc(C(=O)N(CC(C)C)CC2CN(CC(O)Cc3ccccc3)CCO2)cc(OC)c1OC
InChIInChI=1S/C28H40N2O6/c1-20(2)16-30(28(32)22-14-25(33-3)27(35-5)26(15-22)34-4)19-24-18-29(11-12-36-24)17-23(31)13-21-9-7-6-8-10-21/h6-10,14-15,20,23-24,31H,11-13,16-19H2,1-5H3
InChIKeyARUFMZNXPURJTO-UHFFFAOYSA-N
MW500.64 g/mol
LogP3.12
Rot. Bonds12

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

N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide (PubChem CID 46060141) has the molecular formula C28H40N2O6 and a molecular weight of 500.64 g/mol. Its IUPAC name is N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
PubChem CID46060141
Molecular FormulaC28H40N2O6
Molecular Weight500.64 g/mol
Exact Mass500.29
IUPAC NameN-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
SMILESCOc1cc(C(=O)N(CC(C)C)CC2CN(CC(O)Cc3ccccc3)CCO2)cc(OC)c1OC
InChIInChI=1S/C28H40N2O6/c1-20(2)16-30(28(32)22-14-25(33-3)27(35-5)26(15-22)34-4)19-24-18-29(11-12-36-24)17-23(31)13-21-9-7-6-8-10-21/h6-10,14-15,20,23-24,31H,11-13,16-19H2,1-5H3
InChIKeyARUFMZNXPURJTO-UHFFFAOYSA-N
XLogP3.12
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.64
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(2R)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 99729951
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-[[(2S)-4-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 92989390
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-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42862225
N-[[4-(2-hydroxy-3-phenoxypropyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862250
N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 98634563
N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 100900073
3-fluoro-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46060194
N-[[4-(furan-3-carbonyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46059623
N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 100543008

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide (CID 46060141) is N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide is COc1cc(C(=O)N(CC(C)C)CC2CN(CC(O)Cc3ccccc3)CCO2)cc(OC)c1OC.
What is the InChIKey of N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide?
The InChIKey is ARUFMZNXPURJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O6/c1-20(2)16-30(28(32)22-14-25(33-3)27(35-5)26(15-22)34-4)19-24-18-29(11-12-36-24)17-23(31)13-21-9-7-6-8-10-21/h6-10,14-15,20,23-24,31H,11-13,16-19H2,1-5H3.
What are the key properties of N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide?
N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide has a molecular weight of 500.64 g/mol, XLogP of 3.12, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46060141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).