N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide

C12H17N3O5 — CID 106164627

IUPACN-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide
SMILESNC(=O)C(O)CNC(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C12H17N3O5/c13-11(18)8(16)7-15-10(17)4-1-5-14-12(19)9-3-2-6-20-9/h2-3,6,8,16H,1,4-5,7H2,(H2,13,18)(H,14,19)(H,15,17)
InChIKeyNTHAALFHTREWMP-UHFFFAOYSA-N
MW283.28 g/mol
LogP-1.25
Rot. Bonds8

About N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide

N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 106164627) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide
PubChem CID106164627
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC NameN-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide
SMILESNC(=O)C(O)CNC(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C12H17N3O5/c13-11(18)8(16)7-15-10(17)4-1-5-14-12(19)9-3-2-6-20-9/h2-3,6,8,16H,1,4-5,7H2,(H2,13,18)(H,14,19)(H,15,17)
InChIKeyNTHAALFHTREWMP-UHFFFAOYSA-N
XLogP-1.25
TPSA134.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide with MolForge

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Related Compounds

(2S)-3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxypropanoic acid
CID 107833216
(2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107833526
N-[4-[(2-cyclopropyl-2-hydroxyethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 63294741
N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 65312462
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 43418787
N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 79030673
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172562
ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate
CID 61343133

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide (CID 106164627) is N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide is NC(=O)C(O)CNC(=O)CCCNC(=O)c1ccco1.
What is the InChIKey of N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is NTHAALFHTREWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c13-11(18)8(16)7-15-10(17)4-1-5-14-12(19)9-3-2-6-20-9/h2-3,6,8,16H,1,4-5,7H2,(H2,13,18)(H,14,19)(H,15,17).
What are the key properties of N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 283.28 g/mol, XLogP of -1.25, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 106164627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).