N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride

C14H24ClN3O3 — CID 119587670

IUPACN-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C(C)NC(=O)c1ccco1.Cl
InChIInChI=1S/C14H23N3O3.ClH/c1-9(2)7-11(8-15)17-13(18)10(3)16-14(19)12-5-4-6-20-12;/h4-6,9-11H,7-8,15H2,1-3H3,(H,16,19)(H,17,18);1H
InChIKeyOQFQGRULJHUZBL-UHFFFAOYSA-N
MW317.82 g/mol
LogP1.31
Rot. Bonds7

About N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride

N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride (PubChem CID 119587670) has the molecular formula C14H24ClN3O3 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
PubChem CID119587670
Molecular FormulaC14H24ClN3O3
Molecular Weight317.82 g/mol
Exact Mass317.15
IUPAC NameN-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C(C)NC(=O)c1ccco1.Cl
InChIInChI=1S/C14H23N3O3.ClH/c1-9(2)7-11(8-15)17-13(18)10(3)16-14(19)12-5-4-6-20-12;/h4-6,9-11H,7-8,15H2,1-3H3,(H,16,19)(H,17,18);1H
InChIKeyOQFQGRULJHUZBL-UHFFFAOYSA-N
XLogP1.31
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[1-(1-aminohexan-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119667471
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119384373
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119407621
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
4-[2-(furan-2-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 80537997
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177
(2R)-2-[2-(furan-2-carbonylamino)propanoylamino]-4-hydroxybutanoic acid
CID 107822895
N-[1-(3,3-diphenylpropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24665013
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119528888

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride (CID 119587670) is N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)C(C)NC(=O)c1ccco1.Cl.
What is the InChIKey of N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride?
The InChIKey is OQFQGRULJHUZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3.ClH/c1-9(2)7-11(8-15)17-13(18)10(3)16-14(19)12-5-4-6-20-12;/h4-6,9-11H,7-8,15H2,1-3H3,(H,16,19)(H,17,18);1H.
What are the key properties of N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride?
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119587670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).