N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

C15H23ClN4O3 — CID 119997552

IUPACN-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCC(C)CN)cc1N1CCNC1=O.Cl
InChIInChI=1S/C15H22N4O3.ClH/c1-10(8-16)9-18-14(20)11-3-4-13(22-2)12(7-11)19-6-5-17-15(19)21;/h3-4,7,10H,5-6,8-9,16H2,1-2H3,(H,17,21)(H,18,20);1H
InChIKeyZJIPBBSHMLIXBY-UHFFFAOYSA-N
MW342.83 g/mol
LogP0.97
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (PubChem CID 119997552) has the molecular formula C15H23ClN4O3 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
PubChem CID119997552
Molecular FormulaC15H23ClN4O3
Molecular Weight342.83 g/mol
Exact Mass342.15
IUPAC NameN-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCC(C)CN)cc1N1CCNC1=O.Cl
InChIInChI=1S/C15H22N4O3.ClH/c1-10(8-16)9-18-14(20)11-3-4-13(22-2)12(7-11)19-6-5-17-15(19)21;/h3-4,7,10H,5-6,8-9,16H2,1-2H3,(H,17,21)(H,18,20);1H
InChIKeyZJIPBBSHMLIXBY-UHFFFAOYSA-N
XLogP0.97
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119526784
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
CID 119526785
2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119350135
3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 119351118
N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119655885
4-methoxy-N-(3-methyloxolan-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 146084355
2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 120517125
1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one
CID 124573528
N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 119998177
N-(3-amino-2-methylpropyl)-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 119998409
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 72850232
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71873314

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (CID 119997552) is N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is COc1ccc(C(=O)NCC(C)CN)cc1N1CCNC1=O.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The InChIKey is ZJIPBBSHMLIXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3.ClH/c1-10(8-16)9-18-14(20)11-3-4-13(22-2)12(7-11)19-6-5-17-15(19)21;/h3-4,7,10H,5-6,8-9,16H2,1-2H3,(H,17,21)(H,18,20);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119997552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).