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

C16H27ClN4O2 — CID 120653498

IUPACN-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc(NC(=O)NC(C)C)cc1.Cl
InChIInChI=1S/C16H26N4O2.ClH/c1-5-17-12(4)10-18-15(21)13-6-8-14(9-7-13)20-16(22)19-11(2)3;/h6-9,11-12,17H,5,10H2,1-4H3,(H,18,21)(H2,19,20,22);1H/t12-;/m1./s1
InChIKeyVTMOWCKUWZECSP-UTONKHPSSA-N
MW342.87 g/mol
LogP2.37
Rot. Bonds7

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

N-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride (PubChem CID 120653498) has the molecular formula C16H27ClN4O2 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
PubChem CID120653498
Molecular FormulaC16H27ClN4O2
Molecular Weight342.87 g/mol
Exact Mass342.18
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc(NC(=O)NC(C)C)cc1.Cl
InChIInChI=1S/C16H26N4O2.ClH/c1-5-17-12(4)10-18-15(21)13-6-8-14(9-7-13)20-16(22)19-11(2)3;/h6-9,11-12,17H,5,10H2,1-4H3,(H,18,21)(H2,19,20,22);1H/t12-;/m1./s1
InChIKeyVTMOWCKUWZECSP-UTONKHPSSA-N
XLogP2.37
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 120654100
N-(2-aminoethyl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119384323
4-N-(2,2-dimethylpropyl)-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120651678
4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide
CID 62838667
4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38175728
4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120653123
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 119432618
4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166611
N-ethyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47238365
4-butan-2-yloxy-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654055
4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride (CID 120653498) is N-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride is CCN[C@H](C)CNC(=O)c1ccc(NC(=O)NC(C)C)cc1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride?
The InChIKey is VTMOWCKUWZECSP-UTONKHPSSA-N. The full InChI is InChI=1S/C16H26N4O2.ClH/c1-5-17-12(4)10-18-15(21)13-6-8-14(9-7-13)20-16(22)19-11(2)3;/h6-9,11-12,17H,5,10H2,1-4H3,(H,18,21)(H2,19,20,22);1H/t12-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.37, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride is sourced from PubChem (CID 120653498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).