N-heptyl-2,3-dihydrofuran-2-carboxamide

C12H21NO2 — CID 178143014

IUPACN-heptyl-2,3-dihydrofuran-2-carboxamide
SMILESCCCCCCCNC(=O)C1CC=CO1
InChIInChI=1S/C12H21NO2/c1-2-3-4-5-6-9-13-12(14)11-8-7-10-15-11/h7,10-11H,2-6,8-9H2,1H3,(H,13,14)
InChIKeyDCSNVBXSAOQJMV-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.38
Rot. Bonds7

About N-heptyl-2,3-dihydrofuran-2-carboxamide

N-heptyl-2,3-dihydrofuran-2-carboxamide (PubChem CID 178143014) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is N-heptyl-2,3-dihydrofuran-2-carboxamide.

Molecular Properties

Compound NameN-heptyl-2,3-dihydrofuran-2-carboxamide
PubChem CID178143014
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC NameN-heptyl-2,3-dihydrofuran-2-carboxamide
SMILESCCCCCCCNC(=O)C1CC=CO1
InChIInChI=1S/C12H21NO2/c1-2-3-4-5-6-9-13-12(14)11-8-7-10-15-11/h7,10-11H,2-6,8-9H2,1H3,(H,13,14)
InChIKeyDCSNVBXSAOQJMV-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-2,3-dihydrofuran-2-carboxamide
CID 70805773
ethane;N-ethyl-2,3-dihydrofuran-2-carboxamide
CID 141975351
N-(2-hydroxyethyl)-2,3-dihydrofuran-2-carboxamide
CID 142271078
(6E)-9-methoxy-2,3,4,5,8,9-hexahydro-1H-azecin-10-one
CID 10607523
3-methoxy-3,4,7,8,9,10-hexahydro-2(1H)-azecinone
CID 24975698
N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypropanamide
CID 103842222
N-propan-2-yl-3,4-dihydro-2H-pyran-2-carboxamide
CID 127012090
N-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 130635445
N-ethyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 130738609
N-butan-2-yl-3,4-dihydro-2H-pyran-2-carboxamide
CID 130747082
(5E)-3-methoxy-1-azacyclotridec-5-en-2-one
CID 132518911
(5E)-3-methoxy-1-azacycloundec-5-en-2-one
CID 132518912

Frequently Asked Questions

What is the IUPAC name of N-heptyl-2,3-dihydrofuran-2-carboxamide?
The IUPAC name of N-heptyl-2,3-dihydrofuran-2-carboxamide (CID 178143014) is N-heptyl-2,3-dihydrofuran-2-carboxamide.
What is the SMILES notation for N-heptyl-2,3-dihydrofuran-2-carboxamide?
The canonical SMILES for N-heptyl-2,3-dihydrofuran-2-carboxamide is CCCCCCCNC(=O)C1CC=CO1.
What is the InChIKey of N-heptyl-2,3-dihydrofuran-2-carboxamide?
The InChIKey is DCSNVBXSAOQJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-3-4-5-6-9-13-12(14)11-8-7-10-15-11/h7,10-11H,2-6,8-9H2,1H3,(H,13,14).
What are the key properties of N-heptyl-2,3-dihydrofuran-2-carboxamide?
N-heptyl-2,3-dihydrofuran-2-carboxamide has a molecular weight of 211.31 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2,3-dihydrofuran-2-carboxamide is sourced from PubChem (CID 178143014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).