N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride

C13H22ClN3O3 — CID 119331995

IUPACN-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
SMILESCc1ccoc1C(=O)NCCCNC(=O)C(C)(C)N.Cl
InChIInChI=1S/C13H21N3O3.ClH/c1-9-5-8-19-10(9)11(17)15-6-4-7-16-12(18)13(2,3)14;/h5,8H,4,6-7,14H2,1-3H3,(H,15,17)(H,16,18);1H
InChIKeySUCGPZXAITWVRQ-UHFFFAOYSA-N
MW303.79 g/mol
LogP0.98
Rot. Bonds6

About N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride

N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride (PubChem CID 119331995) has the molecular formula C13H22ClN3O3 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
PubChem CID119331995
Molecular FormulaC13H22ClN3O3
Molecular Weight303.79 g/mol
Exact Mass303.13
IUPAC NameN-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
SMILESCc1ccoc1C(=O)NCCCNC(=O)C(C)(C)N.Cl
InChIInChI=1S/C13H21N3O3.ClH/c1-9-5-8-19-10(9)11(17)15-6-4-7-16-12(18)13(2,3)14;/h5,8H,4,6-7,14H2,1-3H3,(H,15,17)(H,16,18);1H
InChIKeySUCGPZXAITWVRQ-UHFFFAOYSA-N
XLogP0.98
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminobutyl)-3-methylfuran-2-carboxamide
CID 60895762
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 120501389
3-methyl-N-[3-[(N'-methylcarbamimidoyl)amino]propyl]furan-2-carboxamide;hydroiodide
CID 111439289
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 120501390
N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid
CID 119186184
N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119332013
N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 119332014
3-methyl-N-[3-(2-methylpropylsulfanyl)propyl]furan-2-carboxamide
CID 75390120
2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 75483650
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119798351
N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide
CID 104593838

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride (CID 119331995) is N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride is Cc1ccoc1C(=O)NCCCNC(=O)C(C)(C)N.Cl.
What is the InChIKey of N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is SUCGPZXAITWVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3.ClH/c1-9-5-8-19-10(9)11(17)15-6-4-7-16-12(18)13(2,3)14;/h5,8H,4,6-7,14H2,1-3H3,(H,15,17)(H,16,18);1H.
What are the key properties of N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride?
N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 303.79 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119331995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).