N-butan-2-yl-N-[[4-(1-hydroxy-2-methylbut-3-en-2-yl)morpholin-2-yl]methyl]-2-methoxybenzamide

C22H34N2O4 — CID 42862268

IUPACN-butan-2-yl-N-[[4-(1-hydroxy-2-methylbut-3-en-2-yl)morpholin-2-yl]methyl]-2-methoxybenzamide
SMILESC=CC(C)(CO)N1CCOC(CN(C(=O)c2ccccc2OC)C(C)CC)C1
InChIInChI=1S/C22H34N2O4/c1-6-17(3)24(21(26)19-10-8-9-11-20(19)27-5)15-18-14-23(12-13-28-18)22(4,7-2)16-25/h7-11,17-18,25H,2,6,12-16H2,1,3-5H3
InChIKeyHOFONQNTNWBAFR-UHFFFAOYSA-N
MW390.52 g/mol
LogP2.57
Rot. Bonds9

About N-butan-2-yl-N-[[4-(1-hydroxy-2-methylbut-3-en-2-yl)morpholin-2-yl]methyl]-2-methoxybenzamide

N-butan-2-yl-N-[[4-(1-hydroxy-2-methylbut-3-en-2-yl)morpholin-2-yl]methyl]-2-methoxybenzamide (PubChem CID 42862268) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is N-butan-2-yl-N-[[4-(1-hydroxy-2-methylbut-3-en-2-yl)morpholin-2-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[[4-(1-hydroxy-2-methylbut-3-en-2-yl)morpholin-2-yl]methyl]-2-methoxybenzamide
PubChem CID42862268
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC NameN-butan-2-yl-N-[[4-(1-hydroxy-2-methylbut-3-en-2-yl)morpholin-2-yl]methyl]-2-methoxybenzamide
SMILESC=CC(C)(CO)N1CCOC(CN(C(=O)c2ccccc2OC)C(C)CC)C1
InChIInChI=1S/C22H34N2O4/c1-6-17(3)24(21(26)19-10-8-9-11-20(19)27-5)15-18-14-23(12-13-28-18)22(4,7-2)16-25/h7-11,17-18,25H,2,6,12-16H2,1,3-5H3
InChIKeyHOFONQNTNWBAFR-UHFFFAOYSA-N
XLogP2.57
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-butan-2-yl]-N-[[(2S)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 99731099
N-[(2S)-butan-2-yl]-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 99731101
N-butan-2-yl-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42862225
N-[(2R)-butan-2-yl]-2-methoxy-N-[[(2R)-4-(4-nitrobenzoyl)morpholin-2-yl]methyl]benzamide
CID 93338201
2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 46060541
2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060538
N-[[(2S)-4-(1-hydroxy-2-methylpropan-2-yl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92989560
N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060542
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42861726
N-(cyclopropylmethyl)-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 46060412
N-[[4-(2-methoxybenzoyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 42861605
N-ethyl-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide
CID 45186750

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[[4-(1-hydroxy-2-methylbut-3-en-2-yl)morpholin-2-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-butan-2-yl-N-[[4-(1-hydroxy-2-methylbut-3-en-2-yl)morpholin-2-yl]methyl]-2-methoxybenzamide (CID 42862268) is N-butan-2-yl-N-[[4-(1-hydroxy-2-methylbut-3-en-2-yl)morpholin-2-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-butan-2-yl-N-[[4-(1-hydroxy-2-methylbut-3-en-2-yl)morpholin-2-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-butan-2-yl-N-[[4-(1-hydroxy-2-methylbut-3-en-2-yl)morpholin-2-yl]methyl]-2-methoxybenzamide is C=CC(C)(CO)N1CCOC(CN(C(=O)c2ccccc2OC)C(C)CC)C1.
What is the InChIKey of N-butan-2-yl-N-[[4-(1-hydroxy-2-methylbut-3-en-2-yl)morpholin-2-yl]methyl]-2-methoxybenzamide?
The InChIKey is HOFONQNTNWBAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-6-17(3)24(21(26)19-10-8-9-11-20(19)27-5)15-18-14-23(12-13-28-18)22(4,7-2)16-25/h7-11,17-18,25H,2,6,12-16H2,1,3-5H3.
What are the key properties of N-butan-2-yl-N-[[4-(1-hydroxy-2-methylbut-3-en-2-yl)morpholin-2-yl]methyl]-2-methoxybenzamide?
N-butan-2-yl-N-[[4-(1-hydroxy-2-methylbut-3-en-2-yl)morpholin-2-yl]methyl]-2-methoxybenzamide has a molecular weight of 390.52 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[[4-(1-hydroxy-2-methylbut-3-en-2-yl)morpholin-2-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 42862268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).