1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide

C15H22N2O3 — CID 109134849

IUPAC1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
SMILESCCCCCNC(=O)C1CC1C(=O)NCc1ccco1
InChIInChI=1S/C15H22N2O3/c1-2-3-4-7-16-14(18)12-9-13(12)15(19)17-10-11-6-5-8-20-11/h5-6,8,12-13H,2-4,7,9-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyHWTAVKVXCLRPED-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.84
Rot. Bonds8

About 1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide

1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide (PubChem CID 109134849) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
PubChem CID109134849
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
SMILESCCCCCNC(=O)C1CC1C(=O)NCc1ccco1
InChIInChI=1S/C15H22N2O3/c1-2-3-4-7-16-14(18)12-9-13(12)15(19)17-10-11-6-5-8-20-11/h5-6,8,12-13H,2-4,7,9-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyHWTAVKVXCLRPED-UHFFFAOYSA-N
XLogP1.84
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109134850
2-N-[2-(dimethylamino)ethyl]-1-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133639
1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109135020
2-(furan-2-ylmethylamino)-N-pentylacetamide
CID 108996263
1-(furan-2-ylmethyl)-3-undecylthiourea
CID 19651324
1-dodecyl-3-(furan-2-ylmethyl)thiourea
CID 19651410
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131808
2-N-(furan-2-ylmethyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109134861
4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109147782
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
N-butyl-3-(furan-2-ylmethylamino)propanamide
CID 109012191

Frequently Asked Questions

What is the IUPAC name of 1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide (CID 109134849) is 1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide is CCCCCNC(=O)C1CC1C(=O)NCc1ccco1.
What is the InChIKey of 1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide?
The InChIKey is HWTAVKVXCLRPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-3-4-7-16-14(18)12-9-13(12)15(19)17-10-11-6-5-8-20-11/h5-6,8,12-13H,2-4,7,9-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide?
1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109134849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).