3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide

C19H30N2O2 — CID 134032540

IUPAC3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
SMILESCc1ccc(CCC(=O)NCC2CN(CC(C)C)CCO2)cc1
InChIInChI=1S/C19H30N2O2/c1-15(2)13-21-10-11-23-18(14-21)12-20-19(22)9-8-17-6-4-16(3)5-7-17/h4-7,15,18H,8-14H2,1-3H3,(H,20,22)
InChIKeyYYPHPXBRBYDRMY-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.40
Rot. Bonds7

About 3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide

3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide (PubChem CID 134032540) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
PubChem CID134032540
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
SMILESCc1ccc(CCC(=O)NCC2CN(CC(C)C)CCO2)cc1
InChIInChI=1S/C19H30N2O2/c1-15(2)13-21-10-11-23-18(14-21)12-20-19(22)9-8-17-6-4-16(3)5-7-17/h4-7,15,18H,8-14H2,1-3H3,(H,20,22)
InChIKeyYYPHPXBRBYDRMY-UHFFFAOYSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 35363430
3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 30538476
1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 4798763
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 35365201
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 120669400
4-(3,4-dimethylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxobutanamide
CID 30538416
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55402241
2-(5-methyl-2-propan-2-ylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 46684442
2-(3-methylphenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 46684440
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55648984
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 94823939
2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51923991

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide (CID 134032540) is 3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide is Cc1ccc(CCC(=O)NCC2CN(CC(C)C)CCO2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
The InChIKey is YYPHPXBRBYDRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15(2)13-21-10-11-23-18(14-21)12-20-19(22)9-8-17-6-4-16(3)5-7-17/h4-7,15,18H,8-14H2,1-3H3,(H,20,22).
What are the key properties of 3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide has a molecular weight of 318.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide is sourced from PubChem (CID 134032540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).