N-[3-(aminomethyl)pentan-3-yl]-3-(dimethylcarbamoylamino)benzamide;hydrochloride

C16H27ClN4O2 — CID 119571010

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(dimethylcarbamoylamino)benzamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cccc(NC(=O)N(C)C)c1.Cl
InChIInChI=1S/C16H26N4O2.ClH/c1-5-16(6-2,11-17)19-14(21)12-8-7-9-13(10-12)18-15(22)20(3)4;/h7-10H,5-6,11,17H2,1-4H3,(H,18,22)(H,19,21);1H
InChIKeyFFABCHUIBFIYHF-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.45
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-3-(dimethylcarbamoylamino)benzamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-3-(dimethylcarbamoylamino)benzamide;hydrochloride (PubChem CID 119571010) has the molecular formula C16H27ClN4O2 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(dimethylcarbamoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(dimethylcarbamoylamino)benzamide;hydrochloride
PubChem CID119571010
Molecular FormulaC16H27ClN4O2
Molecular Weight342.87 g/mol
Exact Mass342.18
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(dimethylcarbamoylamino)benzamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cccc(NC(=O)N(C)C)c1.Cl
InChIInChI=1S/C16H26N4O2.ClH/c1-5-16(6-2,11-17)19-14(21)12-8-7-9-13(10-12)18-15(22)20(3)4;/h7-10H,5-6,11,17H2,1-4H3,(H,18,22)(H,19,21);1H
InChIKeyFFABCHUIBFIYHF-UHFFFAOYSA-N
XLogP2.45
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119571882
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(dimethylcarbamoylamino)benzamide
CID 119574828
N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119570163
N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide
CID 119571027
N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide
CID 63767069
3-(dimethylcarbamoylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 136539124
N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide
CID 63765536
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide
CID 115431854
N-[3-(aminomethyl)pentan-3-yl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119571597
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119571385
N-[3-(aminomethyl)pentan-3-yl]-3-iodo-4-methylbenzamide;hydrochloride
CID 119571856
N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119570578

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(dimethylcarbamoylamino)benzamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(dimethylcarbamoylamino)benzamide;hydrochloride (CID 119571010) is N-[3-(aminomethyl)pentan-3-yl]-3-(dimethylcarbamoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(dimethylcarbamoylamino)benzamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(dimethylcarbamoylamino)benzamide;hydrochloride is CCC(CC)(CN)NC(=O)c1cccc(NC(=O)N(C)C)c1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(dimethylcarbamoylamino)benzamide;hydrochloride?
The InChIKey is FFABCHUIBFIYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.ClH/c1-5-16(6-2,11-17)19-14(21)12-8-7-9-13(10-12)18-15(22)20(3)4;/h7-10H,5-6,11,17H2,1-4H3,(H,18,22)(H,19,21);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(dimethylcarbamoylamino)benzamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-3-(dimethylcarbamoylamino)benzamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-(dimethylcarbamoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119571010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).