N-[3-(aminomethyl)pentan-3-yl]-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride

C17H27ClN4O2 — CID 119572144

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cccc(N2CCCNC2=O)c1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-3-17(4-2,12-18)20-15(22)13-7-5-8-14(11-13)21-10-6-9-19-16(21)23;/h5,7-8,11H,3-4,6,9-10,12,18H2,1-2H3,(H,19,23)(H,20,22);1H
InChIKeyUPQVYANZVYVVMO-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.28
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride (PubChem CID 119572144) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride
PubChem CID119572144
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cccc(N2CCCNC2=O)c1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-3-17(4-2,12-18)20-15(22)13-7-5-8-14(11-13)21-10-6-9-19-16(21)23;/h5,7-8,11H,3-4,6,9-10,12,18H2,1-2H3,(H,19,23)(H,20,22);1H
InChIKeyUPQVYANZVYVVMO-UHFFFAOYSA-N
XLogP2.28
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride
CID 119609096
2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]acetic acid
CID 119350110
2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]propanoic acid
CID 119348696
3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514860
3-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]benzoic acid
CID 146134465
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride
CID 119459683
(2R)-2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]-3-phenylpropanoic acid
CID 119367069
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
ethyl 1-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylate
CID 55969090
1-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-1,3-diazinan-2-one
CID 124590622
N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119570578
2-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]pentanamide;hydrochloride
CID 119338335

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride (CID 119572144) is N-[3-(aminomethyl)pentan-3-yl]-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride is CCC(CC)(CN)NC(=O)c1cccc(N2CCCNC2=O)c1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride?
The InChIKey is UPQVYANZVYVVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-3-17(4-2,12-18)20-15(22)13-7-5-8-14(11-13)21-10-6-9-19-16(21)23;/h5,7-8,11H,3-4,6,9-10,12,18H2,1-2H3,(H,19,23)(H,20,22);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.28, 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-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119572144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).