N-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride

C19H32ClN3O2 — CID 120651928

IUPACN-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C(CC(C)C)NC(=O)c1ccccc1C.Cl
InChIInChI=1S/C19H31N3O2.ClH/c1-6-20-15(5)12-21-19(24)17(11-13(2)3)22-18(23)16-10-8-7-9-14(16)4;/h7-10,13,15,17,20H,6,11-12H2,1-5H3,(H,21,24)(H,22,23);1H/t15-,17?;/m1./s1
InChIKeyVOPGFQHJAGZZEQ-GKDMBGIGSA-N
MW369.94 g/mol
LogP2.68
Rot. Bonds9

About N-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride

N-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride (PubChem CID 120651928) has the molecular formula C19H32ClN3O2 and a molecular weight of 369.94 g/mol. Its IUPAC name is N-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride
PubChem CID120651928
Molecular FormulaC19H32ClN3O2
Molecular Weight369.94 g/mol
Exact Mass369.22
IUPAC NameN-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C(CC(C)C)NC(=O)c1ccccc1C.Cl
InChIInChI=1S/C19H31N3O2.ClH/c1-6-20-15(5)12-21-19(24)17(11-13(2)3)22-18(23)16-10-8-7-9-14(16)4;/h7-10,13,15,17,20H,6,11-12H2,1-5H3,(H,21,24)(H,22,23);1H/t15-,17?;/m1./s1
InChIKeyVOPGFQHJAGZZEQ-GKDMBGIGSA-N
XLogP2.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride with MolForge

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Related Compounds

N-[1-(3-ethoxypropylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78785278
2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345
(3S)-3-[[(2S)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]butanoic acid
CID 97072625
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 26002664
N-[1-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 55949349
2-methyl-N-[(2R)-4-methyl-1-oxo-1-(2-phenylsulfanylethylamino)pentan-2-yl]benzamide
CID 9482953
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431
2-methyl-N-[4-methyl-1-oxo-1-[[3-oxo-3-(prop-2-ynylamino)propyl]amino]pentan-2-yl]benzamide
CID 49209114
2-chloro-N-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 120653175
5-[[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110986
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748
2-methyl-N-[4-methyl-1-[3-[methyl(methylsulfonyl)amino]propylamino]-1-oxopentan-2-yl]benzamide
CID 46434255

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride?
The IUPAC name of N-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride (CID 120651928) is N-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride is CCN[C@H](C)CNC(=O)C(CC(C)C)NC(=O)c1ccccc1C.Cl.
What is the InChIKey of N-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride?
The InChIKey is VOPGFQHJAGZZEQ-GKDMBGIGSA-N. The full InChI is InChI=1S/C19H31N3O2.ClH/c1-6-20-15(5)12-21-19(24)17(11-13(2)3)22-18(23)16-10-8-7-9-14(16)4;/h7-10,13,15,17,20H,6,11-12H2,1-5H3,(H,21,24)(H,22,23);1H/t15-,17?;/m1./s1.
What are the key properties of N-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride?
N-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride has a molecular weight of 369.94 g/mol, XLogP of 2.68, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2R)-2-(ethylamino)propyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120651928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).