N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide

C21H34N2O3 — CID 42859648

IUPACN-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
SMILESCCC(O)CN1CCOC(CN(CCC(C)C)C(=O)c2ccccc2)C1
InChIInChI=1S/C21H34N2O3/c1-4-19(24)14-22-12-13-26-20(15-22)16-23(11-10-17(2)3)21(25)18-8-6-5-7-9-18/h5-9,17,19-20,24H,4,10-16H2,1-3H3
InChIKeyBQSQDZUAIXPDBJ-UHFFFAOYSA-N
MW362.51 g/mol
LogP2.65
Rot. Bonds9

About N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide

N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide (PubChem CID 42859648) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
PubChem CID42859648
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC NameN-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
SMILESCCC(O)CN1CCOC(CN(CCC(C)C)C(=O)c2ccccc2)C1
InChIInChI=1S/C21H34N2O3/c1-4-19(24)14-22-12-13-26-20(15-22)16-23(11-10-17(2)3)21(25)18-8-6-5-7-9-18/h5-9,17,19-20,24H,4,10-16H2,1-3H3
InChIKeyBQSQDZUAIXPDBJ-UHFFFAOYSA-N
XLogP2.65
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 92988428
3-fluoro-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46060233
N-[[(2S)-4-[(2S)-2-hydroxy-3-methoxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984293
N-[[(2S)-4-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984280
N-[[(2S)-4-[(2R)-2-hydroxybutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 92989417
N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 100900073
N-[[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46041392
N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984292
N-[[(2S)-4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984291
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-[[(2S)-4-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92989538

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide?
The IUPAC name of N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide (CID 42859648) is N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide?
The canonical SMILES for N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide is CCC(O)CN1CCOC(CN(CCC(C)C)C(=O)c2ccccc2)C1.
What is the InChIKey of N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide?
The InChIKey is BQSQDZUAIXPDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-4-19(24)14-22-12-13-26-20(15-22)16-23(11-10-17(2)3)21(25)18-8-6-5-7-9-18/h5-9,17,19-20,24H,4,10-16H2,1-3H3.
What are the key properties of N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide?
N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide has a molecular weight of 362.51 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 42859648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).