N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide

C12H18N2O5 — CID 65312462

IUPACN-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)NC(CO)CO
InChIInChI=1S/C12H18N2O5/c15-7-9(8-16)14-11(17)4-1-5-13-12(18)10-3-2-6-19-10/h2-3,6,9,15-16H,1,4-5,7-8H2,(H,13,18)(H,14,17)
InChIKeyNFLXTWXFSUSFJI-UHFFFAOYSA-N
MW270.28 g/mol
LogP-0.74
Rot. Bonds8

About N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide

N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide (PubChem CID 65312462) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
PubChem CID65312462
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC NameN-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)NC(CO)CO
InChIInChI=1S/C12H18N2O5/c15-7-9(8-16)14-11(17)4-1-5-13-12(18)10-3-2-6-19-10/h2-3,6,9,15-16H,1,4-5,7-8H2,(H,13,18)(H,14,17)
InChIKeyNFLXTWXFSUSFJI-UHFFFAOYSA-N
XLogP-0.74
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
2-[4-(furan-2-carbonylamino)butanoylamino]-3-methylbutanoic acid
CID 43353978
N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 106164627
ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate
CID 61343133
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 31727361
(2S)-3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxypropanoic acid
CID 107833216
N-[4-[(2-cyclopropyl-2-hydroxyethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 63294741
N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 46532972
N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 51181201
N-[3-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 110004386

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide (CID 65312462) is N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide is O=C(CCCNC(=O)c1ccco1)NC(CO)CO.
What is the InChIKey of N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide?
The InChIKey is NFLXTWXFSUSFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c15-7-9(8-16)14-11(17)4-1-5-13-12(18)10-3-2-6-19-10/h2-3,6,9,15-16H,1,4-5,7-8H2,(H,13,18)(H,14,17).
What are the key properties of N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide?
N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide has a molecular weight of 270.28 g/mol, XLogP of -0.74, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 65312462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).