N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide

C25H34N2O3 — CID 42862249

IUPACN-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)N(CC(C)C)CC2CN(CC(O)c3ccccc3)CCO2)cc1
InChIInChI=1S/C25H34N2O3/c1-19(2)15-27(25(29)22-11-9-20(3)10-12-22)17-23-16-26(13-14-30-23)18-24(28)21-7-5-4-6-8-21/h4-12,19,23-24,28H,13-18H2,1-3H3
InChIKeyWRXYSFINJBYULM-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.53
Rot. Bonds8

About N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide

N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide (PubChem CID 42862249) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
PubChem CID42862249
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)N(CC(C)C)CC2CN(CC(O)c3ccccc3)CCO2)cc1
InChIInChI=1S/C25H34N2O3/c1-19(2)15-27(25(29)22-11-9-20(3)10-12-22)17-23-16-26(13-14-30-23)18-24(28)21-7-5-4-6-8-21/h4-12,19,23-24,28H,13-18H2,1-3H3
InChIKeyWRXYSFINJBYULM-UHFFFAOYSA-N
XLogP3.53
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42849374
N-(cyclopropylmethyl)-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862392
N-[[4-(2-hydroxy-3-phenoxypropyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862250
N-[[(2R)-4-[(2S)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 100543008
4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46059580
N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 98634563
N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 42859648
4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92984239
N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 46060121
N-[[4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 46060172
3-fluoro-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46060233
3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 99732290

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide (CID 42862249) is N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide is Cc1ccc(C(=O)N(CC(C)C)CC2CN(CC(O)c3ccccc3)CCO2)cc1.
What is the InChIKey of N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is WRXYSFINJBYULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-19(2)15-27(25(29)22-11-9-20(3)10-12-22)17-23-16-26(13-14-30-23)18-24(28)21-7-5-4-6-8-21/h4-12,19,23-24,28H,13-18H2,1-3H3.
What are the key properties of N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide?
N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 410.56 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 42862249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).