N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide

C16H26N2O4 — CID 3449289

IUPACN-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide
SMILESCCCCNC(=O)CCN(CCCOC)C(=O)c1ccoc1
InChIInChI=1S/C16H26N2O4/c1-3-4-8-17-15(19)6-10-18(9-5-11-21-2)16(20)14-7-12-22-13-14/h7,12-13H,3-6,8-11H2,1-2H3,(H,17,19)
InChIKeyUPYUFDWXMBQALL-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.06
Rot. Bonds11

About N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide

N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide (PubChem CID 3449289) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide
PubChem CID3449289
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC NameN-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide
SMILESCCCCNC(=O)CCN(CCCOC)C(=O)c1ccoc1
InChIInChI=1S/C16H26N2O4/c1-3-4-8-17-15(19)6-10-18(9-5-11-21-2)16(20)14-7-12-22-13-14/h7,12-13H,3-6,8-11H2,1-2H3,(H,17,19)
InChIKeyUPYUFDWXMBQALL-UHFFFAOYSA-N
XLogP2.06
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.06
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

2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium
CID 7218508
N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 42779623
N-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide
CID 4168501
N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide
CID 4191902
N-cyclopropyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]furan-3-carboxamide
CID 5048266
N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide
CID 42779663
3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115724
N-pentylfuran-3-carboxamide
CID 91139562
2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
CID 113159992
3-[benzoyl(3-methoxypropyl)amino]propanoic acid
CID 82324502
N-decylfuran-3-carboxamide
CID 117059205
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide
CID 7330670

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide?
The IUPAC name of N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide (CID 3449289) is N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide.
What is the SMILES notation for N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide?
The canonical SMILES for N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide is CCCCNC(=O)CCN(CCCOC)C(=O)c1ccoc1.
What is the InChIKey of N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide?
The InChIKey is UPYUFDWXMBQALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-3-4-8-17-15(19)6-10-18(9-5-11-21-2)16(20)14-7-12-22-13-14/h7,12-13H,3-6,8-11H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide?
N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide has a molecular weight of 310.39 g/mol, XLogP of 2.06, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide is sourced from PubChem (CID 3449289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).