N-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride

C16H24ClN3O2 — CID 119290704

IUPACN-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1cc(NC(=O)C2CC2)ccc1C.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-3-4-13(17)16(21)19-14-9-12(8-5-10(14)2)18-15(20)11-6-7-11;/h5,8-9,11,13H,3-4,6-7,17H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyVOXMOHQOQMADFI-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.83
Rot. Bonds6

About N-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride

N-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 119290704) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride
PubChem CID119290704
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1cc(NC(=O)C2CC2)ccc1C.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-3-4-13(17)16(21)19-14-9-12(8-5-10(14)2)18-15(20)11-6-7-11;/h5,8-9,11,13H,3-4,6-7,17H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyVOXMOHQOQMADFI-UHFFFAOYSA-N
XLogP2.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 119282895
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428
N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]cyclopropanecarboxamide
CID 94692031
methyl 3-(2-aminopentanoylamino)-4-methylbenzoate;hydrochloride
CID 119265257
5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride
CID 119316574
N-[3-(3,3-diphenylpropylcarbamoylamino)-4-methylphenyl]cyclopropanecarboxamide
CID 55742072
N-[3-[(3-amino-3-phenylpropanoyl)amino]-4-methylphenyl]cyclopropanecarboxamide
CID 119949945
(2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 103794824
(2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 107568455
N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide
CID 54791838
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide
CID 107569318
5-(2-aminopentanoylamino)-2-methylbenzoic acid
CID 63654195

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride (CID 119290704) is N-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride is CCCC(N)C(=O)Nc1cc(NC(=O)C2CC2)ccc1C.Cl.
What is the InChIKey of N-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is VOXMOHQOQMADFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-3-4-13(17)16(21)19-14-9-12(8-5-10(14)2)18-15(20)11-6-7-11;/h5,8-9,11,13H,3-4,6-7,17H2,1-2H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride?
N-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 119290704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).