(2R)-N-[(Z)-4-(dimethylamino)but-2-enyl]-2-[4-(2-methylpropyl)phenyl]propanamide

C19H30N2O — CID 69237814

IUPAC(2R)-N-[(Z)-4-(dimethylamino)but-2-enyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NC/C=C\CN(C)C)cc1
InChIInChI=1S/C19H30N2O/c1-15(2)14-17-8-10-18(11-9-17)16(3)19(22)20-12-6-7-13-21(4)5/h6-11,15-16H,12-14H2,1-5H3,(H,20,22)/b7-6-/t16-/m1/s1
InChIKeyLVLHCXSCLOYNOL-MWWKQMNYSA-N
MW302.46 g/mol
LogP3.22
Rot. Bonds8

About (2R)-N-[(Z)-4-(dimethylamino)but-2-enyl]-2-[4-(2-methylpropyl)phenyl]propanamide

(2R)-N-[(Z)-4-(dimethylamino)but-2-enyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 69237814) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is (2R)-N-[(Z)-4-(dimethylamino)but-2-enyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-4-(dimethylamino)but-2-enyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID69237814
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name(2R)-N-[(Z)-4-(dimethylamino)but-2-enyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NC/C=C\CN(C)C)cc1
InChIInChI=1S/C19H30N2O/c1-15(2)14-17-8-10-18(11-9-17)16(3)19(22)20-12-6-7-13-21(4)5/h6-11,15-16H,12-14H2,1-5H3,(H,20,22)/b7-6-/t16-/m1/s1
InChIKeyLVLHCXSCLOYNOL-MWWKQMNYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-[4-(2-methylpropyl)phenyl]propanamide;hydrochloride
CID 85078663
3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propanoic acid
CID 85049753
(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11482780
N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 118460057
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 25019148
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
CID 1228331
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 162646835
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-4-(dimethylamino)but-2-enyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2R)-N-[(Z)-4-(dimethylamino)but-2-enyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 69237814) is (2R)-N-[(Z)-4-(dimethylamino)but-2-enyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2R)-N-[(Z)-4-(dimethylamino)but-2-enyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2R)-N-[(Z)-4-(dimethylamino)but-2-enyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc([C@@H](C)C(=O)NC/C=C\CN(C)C)cc1.
What is the InChIKey of (2R)-N-[(Z)-4-(dimethylamino)but-2-enyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is LVLHCXSCLOYNOL-MWWKQMNYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-15(2)14-17-8-10-18(11-9-17)16(3)19(22)20-12-6-7-13-21(4)5/h6-11,15-16H,12-14H2,1-5H3,(H,20,22)/b7-6-/t16-/m1/s1.
What are the key properties of (2R)-N-[(Z)-4-(dimethylamino)but-2-enyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
(2R)-N-[(Z)-4-(dimethylamino)but-2-enyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 302.46 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-4-(dimethylamino)but-2-enyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 69237814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).