2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide

C21H32N2O2 — CID 42701327

IUPAC2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESC/C(=C\c1ccccc1)CN(CCCN1CCOCC1)C(=O)C(C)C
InChIInChI=1S/C21H32N2O2/c1-18(2)21(24)23(11-7-10-22-12-14-25-15-13-22)17-19(3)16-20-8-5-4-6-9-20/h4-6,8-9,16,18H,7,10-15,17H2,1-3H3/b19-16+
InChIKeySBLXJKGNGGDTOE-KNTRCKAVSA-N
MW344.50 g/mol
LogP3.30
Rot. Bonds8

About 2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide

2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 42701327) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID42701327
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESC/C(=C\c1ccccc1)CN(CCCN1CCOCC1)C(=O)C(C)C
InChIInChI=1S/C21H32N2O2/c1-18(2)21(24)23(11-7-10-22-12-14-25-15-13-22)17-19(3)16-20-8-5-4-6-9-20/h4-6,8-9,16,18H,7,10-15,17H2,1-3H3/b19-16+
InChIKeySBLXJKGNGGDTOE-KNTRCKAVSA-N
XLogP3.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 10250791
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 4990910
3-methoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 10000728
N-[(9-ethylcarbazol-3-yl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 42701340
N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 42705113
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide
CID 1060482
2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
CID 82100038
2-methyl-N-(2-methyl-3-phenylprop-2-enyl)-N-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methyl]propanamide
CID 76571795
(5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6249735
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 22954090
(E)-5-morpholin-4-yl-1,2-diphenylpent-1-en-3-one
CID 5386799

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide (CID 42701327) is 2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide is C/C(=C\c1ccccc1)CN(CCCN1CCOCC1)C(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is SBLXJKGNGGDTOE-KNTRCKAVSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-18(2)21(24)23(11-7-10-22-12-14-25-15-13-22)17-19(3)16-20-8-5-4-6-9-20/h4-6,8-9,16,18H,7,10-15,17H2,1-3H3/b19-16+.
What are the key properties of 2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide?
2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 344.50 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 42701327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).