(2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride

C16H27ClN4O2 — CID 119295830

IUPAC(2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride
SMILESCCN(CC)C(=O)Nc1ccc(C(C)NC(=O)[C@@H](C)N)cc1.Cl
InChIInChI=1S/C16H26N4O2.ClH/c1-5-20(6-2)16(22)19-14-9-7-13(8-10-14)12(4)18-15(21)11(3)17;/h7-12H,5-6,17H2,1-4H3,(H,18,21)(H,19,22);1H/t11-,12?;/m1./s1
InChIKeyROCTWAADLROYOS-BAVFUAOSSA-N
MW342.87 g/mol
LogP2.51
Rot. Bonds6

About (2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride

(2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride (PubChem CID 119295830) has the molecular formula C16H27ClN4O2 and a molecular weight of 342.87 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride
PubChem CID119295830
Molecular FormulaC16H27ClN4O2
Molecular Weight342.87 g/mol
Exact Mass342.18
IUPAC Name(2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride
SMILESCCN(CC)C(=O)Nc1ccc(C(C)NC(=O)[C@@H](C)N)cc1.Cl
InChIInChI=1S/C16H26N4O2.ClH/c1-5-20(6-2)16(22)19-14-9-7-13(8-10-14)12(4)18-15(21)11(3)17;/h7-12H,5-6,17H2,1-4H3,(H,18,21)(H,19,22);1H/t11-,12?;/m1./s1
InChIKeyROCTWAADLROYOS-BAVFUAOSSA-N
XLogP2.51
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288550
1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341996
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288546
2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide
CID 120788514
N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-ethoxyacetamide
CID 87001428
cis-(1S,3R)-3-[1-[4-(diethylcarbamoylamino)phenyl]ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066617
3-[4-(diethylcarbamoylamino)phenyl]butanoic acid
CID 104501853
N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-3,5-difluorobenzamide
CID 87001432
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
3-[4-[1-(2,2-dicyanoethenylamino)ethyl]phenyl]-1,1-diethylurea
CID 75416076
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride (CID 119295830) is (2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride is CCN(CC)C(=O)Nc1ccc(C(C)NC(=O)[C@@H](C)N)cc1.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride?
The InChIKey is ROCTWAADLROYOS-BAVFUAOSSA-N. The full InChI is InChI=1S/C16H26N4O2.ClH/c1-5-20(6-2)16(22)19-14-9-7-13(8-10-14)12(4)18-15(21)11(3)17;/h7-12H,5-6,17H2,1-4H3,(H,18,21)(H,19,22);1H/t11-,12?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119295830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).