N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide

C11H16N2O4 — CID 43427988

IUPACN-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide
SMILESO=C(CCNC(=O)c1ccoc1)NCCCO
InChIInChI=1S/C11H16N2O4/c14-6-1-4-12-10(15)2-5-13-11(16)9-3-7-17-8-9/h3,7-8,14H,1-2,4-6H2,(H,12,15)(H,13,16)
InChIKeyWGEPZHZCVFDXFM-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.10
Rot. Bonds7

About N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide

N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide (PubChem CID 43427988) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide
PubChem CID43427988
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide
SMILESO=C(CCNC(=O)c1ccoc1)NCCCO
InChIInChI=1S/C11H16N2O4/c14-6-1-4-12-10(15)2-5-13-11(16)9-3-7-17-8-9/h3,7-8,14H,1-2,4-6H2,(H,12,15)(H,13,16)
InChIKeyWGEPZHZCVFDXFM-UHFFFAOYSA-N
XLogP-0.10
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.10
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

(2S)-2-[3-(furan-3-carbonylamino)propanoylamino]-4-hydroxybutanoic acid
CID 107822062
2-[3-(furan-3-carbonylamino)propanoylamino]-4-hydroxybutanoic acid
CID 61243124
N-[3-[2-(2-hydroxyethyl)pentylamino]-3-oxopropyl]furan-3-carboxamide
CID 103725537
N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]furan-3-carboxamide
CID 39931388
N-pentylfuran-3-carboxamide
CID 91139562
N-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide
CID 106353047
N-decylfuran-3-carboxamide
CID 117059205
N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide
CID 51092120
N-(4,4-dimethylpentyl)furan-3-carboxamide
CID 20774387
(2S)-2-[3-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 61136349
butyl 3-(furan-3-carbonylamino)propanoate
CID 112727943
N-[3-(2-aminoethoxy)propyl]furan-3-carboxamide
CID 106307825

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide (CID 43427988) is N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide is O=C(CCNC(=O)c1ccoc1)NCCCO.
What is the InChIKey of N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide?
The InChIKey is WGEPZHZCVFDXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-6-1-4-12-10(15)2-5-13-11(16)9-3-7-17-8-9/h3,7-8,14H,1-2,4-6H2,(H,12,15)(H,13,16).
What are the key properties of N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide?
N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 43427988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).