N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide

C18H30N2O3 — CID 42779801

IUPACN-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
SMILESCCCCCCNC(=O)CCN(CCC)C(=O)c1ccoc1C
InChIInChI=1S/C18H30N2O3/c1-4-6-7-8-11-19-17(21)9-13-20(12-5-2)18(22)16-10-14-23-15(16)3/h10,14H,4-9,11-13H2,1-3H3,(H,19,21)
InChIKeyFCPZLQQLKOZCRL-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.53
Rot. Bonds11

About N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide

N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide (PubChem CID 42779801) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
PubChem CID42779801
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
SMILESCCCCCCNC(=O)CCN(CCC)C(=O)c1ccoc1C
InChIInChI=1S/C18H30N2O3/c1-4-6-7-8-11-19-17(21)9-13-20(12-5-2)18(22)16-10-14-23-15(16)3/h10,14H,4-9,11-13H2,1-3H3,(H,19,21)
InChIKeyFCPZLQQLKOZCRL-UHFFFAOYSA-N
XLogP3.53
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 42779802
2-methyl-N-pentylfuran-3-carboxamide
CID 4127379
N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide
CID 56758649
N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
CID 42779763
N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 7261485
3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 5103103
N-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide
CID 3673721
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 42780086
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[2-[[3-(dodecylamino)-3-oxopropyl]-[3-oxo-3-(tridecylamino)propyl]amino]ethyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 139468441
3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide
CID 118180367
3-[2-[bis[3-oxo-3-(tridecylamino)propyl]amino]ethyl-[3-oxo-3-(tridecylamino)propyl]amino]-N-dodecylpropanamide
CID 58105724
3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 46241399

Frequently Asked Questions

What is the IUPAC name of N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide?
The IUPAC name of N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide (CID 42779801) is N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide?
The canonical SMILES for N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide is CCCCCCNC(=O)CCN(CCC)C(=O)c1ccoc1C.
What is the InChIKey of N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide?
The InChIKey is FCPZLQQLKOZCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-4-6-7-8-11-19-17(21)9-13-20(12-5-2)18(22)16-10-14-23-15(16)3/h10,14H,4-9,11-13H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide?
N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 3.53, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide is sourced from PubChem (CID 42779801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).