N-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride

C19H32ClN3O3 — CID 119639651

IUPACN-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C(NC(=O)c1ccccc1OC)C(C)C.Cl
InChIInChI=1S/C19H31N3O3.ClH/c1-6-19(20,7-2)12-21-18(24)16(13(3)4)22-17(23)14-10-8-9-11-15(14)25-5;/h8-11,13,16H,6-7,12,20H2,1-5H3,(H,21,24)(H,22,23);1H
InChIKeyRZHRBHHEPFLYGT-UHFFFAOYSA-N
MW385.94 g/mol
LogP2.51
Rot. Bonds9

About N-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride

N-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride (PubChem CID 119639651) has the molecular formula C19H32ClN3O3 and a molecular weight of 385.94 g/mol. Its IUPAC name is N-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
PubChem CID119639651
Molecular FormulaC19H32ClN3O3
Molecular Weight385.94 g/mol
Exact Mass385.21
IUPAC NameN-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C(NC(=O)c1ccccc1OC)C(C)C.Cl
InChIInChI=1S/C19H31N3O3.ClH/c1-6-19(20,7-2)12-21-18(24)16(13(3)4)22-17(23)14-10-8-9-11-15(14)25-5;/h8-11,13,16H,6-7,12,20H2,1-5H3,(H,21,24)(H,22,23);1H
InChIKeyRZHRBHHEPFLYGT-UHFFFAOYSA-N
XLogP2.51
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
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methyl 2-[[2-[4-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]amino]phenyl]acetyl]amino]acetate
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride?
The IUPAC name of N-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride (CID 119639651) is N-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride?
The canonical SMILES for N-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride is CCC(N)(CC)CNC(=O)C(NC(=O)c1ccccc1OC)C(C)C.Cl.
What is the InChIKey of N-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride?
The InChIKey is RZHRBHHEPFLYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3.ClH/c1-6-19(20,7-2)12-21-18(24)16(13(3)4)22-17(23)14-10-8-9-11-15(14)25-5;/h8-11,13,16H,6-7,12,20H2,1-5H3,(H,21,24)(H,22,23);1H.
What are the key properties of N-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride?
N-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride has a molecular weight of 385.94 g/mol, XLogP of 2.51, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119639651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).