N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride

C16H26ClN3O2 — CID 120654100

IUPACN-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc(NC(=O)C(C)C)cc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-5-17-12(4)10-18-16(21)13-6-8-14(9-7-13)19-15(20)11(2)3;/h6-9,11-12,17H,5,10H2,1-4H3,(H,18,21)(H,19,20);1H/t12-;/m1./s1
InChIKeyAJZIPOXTKHGPSP-UTONKHPSSA-N
MW327.86 g/mol
LogP2.43
Rot. Bonds7

About N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride (PubChem CID 120654100) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
PubChem CID120654100
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc(NC(=O)C(C)C)cc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-5-17-12(4)10-18-16(21)13-6-8-14(9-7-13)19-15(20)11(2)3;/h6-9,11-12,17H,5,10H2,1-4H3,(H,18,21)(H,19,20);1H/t12-;/m1./s1
InChIKeyAJZIPOXTKHGPSP-UTONKHPSSA-N
XLogP2.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;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

N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 120827850
N-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120653498
4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120651678
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
4-(2-methylpropanoylamino)-N-[(2S)-pentan-2-yl]benzamide
CID 977274
4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide
CID 977275
4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654055
4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120653123
4-(2-aminopropanoylamino)-N-ethylbenzamide
CID 43712262
ethyl 4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 5236390
N-[(2R)-2-(ethylamino)propyl]-3,4-dimethoxybenzamide;hydrochloride
CID 120655264

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride (CID 120654100) is N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride is CCN[C@H](C)CNC(=O)c1ccc(NC(=O)C(C)C)cc1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride?
The InChIKey is AJZIPOXTKHGPSP-UTONKHPSSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-5-17-12(4)10-18-16(21)13-6-8-14(9-7-13)19-15(20)11(2)3;/h6-9,11-12,17H,5,10H2,1-4H3,(H,18,21)(H,19,20);1H/t12-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride is sourced from PubChem (CID 120654100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).