N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride

C17H27ClN4O3 — CID 119655885

IUPACN-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)N(C)CC(C)(C)CN)cc1N1CCNC1=O.Cl
InChIInChI=1S/C17H26N4O3.ClH/c1-17(2,10-18)11-20(3)15(22)12-5-6-14(24-4)13(9-12)21-8-7-19-16(21)23;/h5-6,9H,7-8,10-11,18H2,1-4H3,(H,19,23);1H
InChIKeySCTFAOHJTSKWHY-UHFFFAOYSA-N
MW370.88 g/mol
LogP1.70
Rot. Bonds6

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

N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (PubChem CID 119655885) has the molecular formula C17H27ClN4O3 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
PubChem CID119655885
Molecular FormulaC17H27ClN4O3
Molecular Weight370.88 g/mol
Exact Mass370.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)N(C)CC(C)(C)CN)cc1N1CCNC1=O.Cl
InChIInChI=1S/C17H26N4O3.ClH/c1-17(2,10-18)11-20(3)15(22)12-5-6-14(24-4)13(9-12)21-8-7-19-16(21)23;/h5-6,9H,7-8,10-11,18H2,1-4H3,(H,19,23);1H
InChIKeySCTFAOHJTSKWHY-UHFFFAOYSA-N
XLogP1.70
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119997552
2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119350135
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-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119526784
3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 119351118
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
CID 119526785
1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one
CID 122147915
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299345
N-(3-amino-2,2-dimethylpropyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide;hydrochloride
CID 119656251
2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696737
N-(3-amino-2,2-dimethylpropyl)-2,3,4-trimethoxy-N-methylbenzamide;hydrochloride
CID 119654821

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride (CID 119655885) is N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is COc1ccc(C(=O)N(C)CC(C)(C)CN)cc1N1CCNC1=O.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
The InChIKey is SCTFAOHJTSKWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3.ClH/c1-17(2,10-18)11-20(3)15(22)12-5-6-14(24-4)13(9-12)21-8-7-19-16(21)23;/h5-6,9H,7-8,10-11,18H2,1-4H3,(H,19,23);1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119655885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).