N-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide

C15H24N2O4 — CID 103899800

IUPACN-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C15H24N2O4/c1-11(17-14(20)12-6-4-9-21-12)13(19)16-10-15(2,3)7-5-8-18/h4,6,9,11,18H,5,7-8,10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyDMNAMLALTDVEGV-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.31
Rot. Bonds8

About N-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 103899800) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID103899800
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C15H24N2O4/c1-11(17-14(20)12-6-4-9-21-12)13(19)16-10-15(2,3)7-5-8-18/h4,6,9,11,18H,5,7-8,10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyDMNAMLALTDVEGV-UHFFFAOYSA-N
XLogP1.31
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119407621
N-[1-[(2-methyl-2-piperidin-1-ylpropyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51164355
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
N-[1-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51163384
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119384373
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
4-[2-(furan-2-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 80537997
N-(4-amino-2,2-dimethylbutyl)furan-2-carboxamide
CID 106139844
N-[1-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 103933551
N-[(2S)-1-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 52514259

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 103899800) is N-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)NCC(C)(C)CCCO.
What is the InChIKey of N-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is DMNAMLALTDVEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11(17-14(20)12-6-4-9-21-12)13(19)16-10-15(2,3)7-5-8-18/h4,6,9,11,18H,5,7-8,10H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 103899800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).