N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride

C16H24ClN3O3 — CID 120985544

IUPACN-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1cccc(NC(=O)C2CCC2)c1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-22-10-14(17)16(21)18-9-11-4-2-7-13(8-11)19-15(20)12-5-3-6-12;/h2,4,7-8,12,14H,3,5-6,9-10,17H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyVXOXACJBUNZLHV-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.44
Rot. Bonds7

About N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride

N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride (PubChem CID 120985544) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride
PubChem CID120985544
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC NameN-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1cccc(NC(=O)C2CCC2)c1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-22-10-14(17)16(21)18-9-11-4-2-7-13(8-11)19-15(20)12-5-3-6-12;/h2,4,7-8,12,14H,3,5-6,9-10,17H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyVXOXACJBUNZLHV-UHFFFAOYSA-N
XLogP1.44
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339
N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide
CID 119299331
N-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 81071747
N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341
N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119741621
N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119299327
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 119710727
2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 119944325
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120983730

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride?
The IUPAC name of N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride (CID 120985544) is N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride.
What is the SMILES notation for N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride?
The canonical SMILES for N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride is COCC(N)C(=O)NCc1cccc(NC(=O)C2CCC2)c1.Cl.
What is the InChIKey of N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride?
The InChIKey is VXOXACJBUNZLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-22-10-14(17)16(21)18-9-11-4-2-7-13(8-11)19-15(20)12-5-3-6-12;/h2,4,7-8,12,14H,3,5-6,9-10,17H2,1H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride?
N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride is sourced from PubChem (CID 120985544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).