N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide

C11H18N2O3 — CID 104593838

IUPACN-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCNCC(C)O
InChIInChI=1S/C11H18N2O3/c1-8-3-6-16-10(8)11(15)13-5-4-12-7-9(2)14/h3,6,9,12,14H,4-5,7H2,1-2H3,(H,13,15)
InChIKeyXCHQBWUKDYMRGU-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.29
Rot. Bonds6

About N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide

N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide (PubChem CID 104593838) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide
PubChem CID104593838
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCNCC(C)O
InChIInChI=1S/C11H18N2O3/c1-8-3-6-16-10(8)11(15)13-5-4-12-7-9(2)14/h3,6,9,12,14H,4-5,7H2,1-2H3,(H,13,15)
InChIKeyXCHQBWUKDYMRGU-UHFFFAOYSA-N
XLogP0.29
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.29
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

3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide
CID 62659000
N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 120501390
3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide
CID 81479014
N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
N-(4-aminobutyl)-3-methylfuran-2-carboxamide
CID 60895762
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 120501389
3-methyl-N-[3-(2-methylpropylsulfanyl)propyl]furan-2-carboxamide
CID 75390120
2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 75483650
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593635
N-[3-[(2-amino-2-methylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119331995

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide (CID 104593838) is N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCCNCC(C)O.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide?
The InChIKey is XCHQBWUKDYMRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8-3-6-16-10(8)11(15)13-5-4-12-7-9(2)14/h3,6,9,12,14H,4-5,7H2,1-2H3,(H,13,15).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide?
N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 104593838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).