N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-[4-(2-methylpropyl)phenyl]propanamide;hydrochloride

C19H32ClN3O2 — CID 85078663

IUPACN-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-[4-(2-methylpropyl)phenyl]propanamide;hydrochloride
SMILESCC(C)Cc1ccc(C(C)C(=O)NCC(=O)NCCN(C)C)cc1.Cl
InChIInChI=1S/C19H31N3O2.ClH/c1-14(2)12-16-6-8-17(9-7-16)15(3)19(24)21-13-18(23)20-10-11-22(4)5;/h6-9,14-15H,10-13H2,1-5H3,(H,20,23)(H,21,24);1H
InChIKeyXRWKSKGGSCGJNL-UHFFFAOYSA-N
MW369.94 g/mol
LogP2.20
Rot. Bonds9

About N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-[4-(2-methylpropyl)phenyl]propanamide;hydrochloride

N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-[4-(2-methylpropyl)phenyl]propanamide;hydrochloride (PubChem CID 85078663) has the molecular formula C19H32ClN3O2 and a molecular weight of 369.94 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-[4-(2-methylpropyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-[4-(2-methylpropyl)phenyl]propanamide;hydrochloride
PubChem CID85078663
Molecular FormulaC19H32ClN3O2
Molecular Weight369.94 g/mol
Exact Mass369.22
IUPAC NameN-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-[4-(2-methylpropyl)phenyl]propanamide;hydrochloride
SMILESCC(C)Cc1ccc(C(C)C(=O)NCC(=O)NCCN(C)C)cc1.Cl
InChIInChI=1S/C19H31N3O2.ClH/c1-14(2)12-16-6-8-17(9-7-16)15(3)19(24)21-13-18(23)20-10-11-22(4)5;/h6-9,14-15H,10-13H2,1-5H3,(H,20,23)(H,21,24);1H
InChIKeyXRWKSKGGSCGJNL-UHFFFAOYSA-N
XLogP2.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950
(2R)-N-[(Z)-4-(dimethylamino)but-2-enyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 69237814
3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propanoic acid
CID 85049753
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[methyl-[2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]ethyl]amino]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 53378535
(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
N-[2-(2-hydroxyethoxy)ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 85068622
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
CID 1228331
trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium
CID 10274425
2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 71064255
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 25019144

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-[4-(2-methylpropyl)phenyl]propanamide;hydrochloride?
The IUPAC name of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-[4-(2-methylpropyl)phenyl]propanamide;hydrochloride (CID 85078663) is N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-[4-(2-methylpropyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-[4-(2-methylpropyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-[4-(2-methylpropyl)phenyl]propanamide;hydrochloride is CC(C)Cc1ccc(C(C)C(=O)NCC(=O)NCCN(C)C)cc1.Cl.
What is the InChIKey of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-[4-(2-methylpropyl)phenyl]propanamide;hydrochloride?
The InChIKey is XRWKSKGGSCGJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2.ClH/c1-14(2)12-16-6-8-17(9-7-16)15(3)19(24)21-13-18(23)20-10-11-22(4)5;/h6-9,14-15H,10-13H2,1-5H3,(H,20,23)(H,21,24);1H.
What are the key properties of N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-[4-(2-methylpropyl)phenyl]propanamide;hydrochloride?
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-[4-(2-methylpropyl)phenyl]propanamide;hydrochloride has a molecular weight of 369.94 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-[4-(2-methylpropyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 85078663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).