4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide

C16H26N2O3 — CID 79519433

IUPAC4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCCCOCc2ccco2)CC1
InChIInChI=1S/C16H26N2O3/c17-11-13-4-6-14(7-5-13)16(19)18-8-2-9-20-12-15-3-1-10-21-15/h1,3,10,13-14H,2,4-9,11-12,17H2,(H,18,19)
InChIKeyGIVQWCLGFLQFJL-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.07
Rot. Bonds8

About 4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide (PubChem CID 79519433) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide
PubChem CID79519433
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCCCOCc2ccco2)CC1
InChIInChI=1S/C16H26N2O3/c17-11-13-4-6-14(7-5-13)16(19)18-8-2-9-20-12-15-3-1-10-21-15/h1,3,10,13-14H,2,4-9,11-12,17H2,(H,18,19)
InChIKeyGIVQWCLGFLQFJL-UHFFFAOYSA-N
XLogP2.07
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(furan-2-ylmethoxy)propyl]cyclopentane-1-carboxamide
CID 66008372
1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide
CID 113312924
2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 64611617
(3R)-1-ethyl-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 94097464
4-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310523
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide
CID 113307628
N-[3-(furan-2-ylmethoxy)propyl]thiomorpholine-3-carboxamide
CID 82909429
1-(cyclopropylmethyl)-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111398997
4-(aminomethyl)-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 79527047
1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide
CID 55463061
1-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 87016388
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide (CID 79519433) is 4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide is NCC1CCC(C(=O)NCCCOCc2ccco2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide?
The InChIKey is GIVQWCLGFLQFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c17-11-13-4-6-14(7-5-13)16(19)18-8-2-9-20-12-15-3-1-10-21-15/h1,3,10,13-14H,2,4-9,11-12,17H2,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide has a molecular weight of 294.39 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 79519433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).