N-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide

C22H30N2O4 — CID 42861675

IUPACN-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)N(CC2CCCO2)CC2CN(C(=O)C3CC3)CCO2)cc1
InChIInChI=1S/C22H30N2O4/c1-16-4-6-17(7-5-16)22(26)24(13-19-3-2-11-27-19)15-20-14-23(10-12-28-20)21(25)18-8-9-18/h4-7,18-20H,2-3,8-15H2,1H3
InChIKeyIRPMYDBCWCLOOB-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.25
Rot. Bonds6

About N-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide

N-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 42861675) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is N-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID42861675
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC NameN-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)N(CC2CCCO2)CC2CN(C(=O)C3CC3)CCO2)cc1
InChIInChI=1S/C22H30N2O4/c1-16-4-6-17(7-5-16)22(26)24(13-19-3-2-11-27-19)15-20-14-23(10-12-28-20)21(25)18-8-9-18/h4-7,18-20H,2-3,8-15H2,1H3
InChIKeyIRPMYDBCWCLOOB-UHFFFAOYSA-N
XLogP2.25
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[[(2R)-4-(2-methoxyacetyl)morpholin-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93337752
4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46059580
N-(2-methoxyethyl)-4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 46059667
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42595629
N-(2-methoxyethyl)-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 46041170
2-[[1,3-benzodioxole-5-carbonyl(oxolan-2-ylmethyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
CID 46060521
2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 119247976
N-(cyclopropylmethyl)-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862392
N-[[4-(2-methoxybenzoyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 42861605
N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 98634563
4-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94817152

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 42861675) is N-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide is Cc1ccc(C(=O)N(CC2CCCO2)CC2CN(C(=O)C3CC3)CCO2)cc1.
What is the InChIKey of N-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is IRPMYDBCWCLOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-16-4-6-17(7-5-16)22(26)24(13-19-3-2-11-27-19)15-20-14-23(10-12-28-20)21(25)18-8-9-18/h4-7,18-20H,2-3,8-15H2,1H3.
What are the key properties of N-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide?
N-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 386.49 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropanecarbonyl)morpholin-2-yl]methyl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 42861675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).