N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide

C19H33N3O3 — CID 42780086

IUPACN-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
SMILESCCCCCN(CCC(=O)NCCN(C)C)C(=O)c1cc(C)oc1C
InChIInChI=1S/C19H33N3O3/c1-6-7-8-11-22(12-9-18(23)20-10-13-21(4)5)19(24)17-14-15(2)25-16(17)3/h14H,6-13H2,1-5H3,(H,20,23)
InChIKeyKTSZTNXWWQSRBO-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.60
Rot. Bonds11

About N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide

N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide (PubChem CID 42780086) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
PubChem CID42780086
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC NameN-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
SMILESCCCCCN(CCC(=O)NCCN(C)C)C(=O)c1cc(C)oc1C
InChIInChI=1S/C19H33N3O3/c1-6-7-8-11-22(12-9-18(23)20-10-13-21(4)5)19(24)17-14-15(2)25-16(17)3/h14H,6-13H2,1-5H3,(H,20,23)
InChIKeyKTSZTNXWWQSRBO-UHFFFAOYSA-N
XLogP2.60
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,5-dimethylfuran-3-carbonyl)-hexylamino]propanoic acid
CID 3392440
N-[3-(hexylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
CID 42779763
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 4148902
N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42779764
2,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-pentylfuran-3-carboxamide
CID 4197500
N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 42779701
2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide
CID 4153616
N-[3-(diethylamino)-3-oxopropyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 3303521
N-[(2R)-butan-2-yl]-2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]furan-3-carboxamide
CID 7417691
N-butyl-2,5-dimethyl-N-(3-oxo-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 3437554
N-ethyl-2,5-dimethyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
CID 3643874
N-(2-methoxyethyl)-2,5-dimethyl-N-[3-oxo-3-(2-pyrrolidin-1-ylethylamino)propyl]furan-3-carboxamide
CID 4112868

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide (CID 42780086) is N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide is CCCCCN(CCC(=O)NCCN(C)C)C(=O)c1cc(C)oc1C.
What is the InChIKey of N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide?
The InChIKey is KTSZTNXWWQSRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-6-7-8-11-22(12-9-18(23)20-10-13-21(4)5)19(24)17-14-15(2)25-16(17)3/h14H,6-13H2,1-5H3,(H,20,23).
What are the key properties of N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide?
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 2.60, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide is sourced from PubChem (CID 42780086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).