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

C13H20N2O3 — CID 113312924

IUPAC1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCCCOCc2ccco2)CC1
InChIInChI=1S/C13H20N2O3/c14-10-13(4-5-13)12(16)15-6-2-7-17-9-11-3-1-8-18-11/h1,3,8H,2,4-7,9-10,14H2,(H,15,16)
InChIKeyMHOWGVQVUVINEG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.04
Rot. Bonds8

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

1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide (PubChem CID 113312924) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide
PubChem CID113312924
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCCCOCc2ccco2)CC1
InChIInChI=1S/C13H20N2O3/c14-10-13(4-5-13)12(16)15-6-2-7-17-9-11-3-1-8-18-11/h1,3,8H,2,4-7,9-10,14H2,(H,15,16)
InChIKeyMHOWGVQVUVINEG-UHFFFAOYSA-N
XLogP1.04
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.04
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

4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide
CID 79519433
1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide
CID 86921329
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide
CID 113307628
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 64611617
3-amino-N-[3-(furan-2-ylmethoxy)propyl]cyclopentane-1-carboxamide
CID 66008372
4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide
CID 87002587
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
CID 75431227
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
1-[3-(furan-2-ylmethoxy)propyl]-3-(4-hydroxycyclohexyl)urea
CID 110892535
N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide
CID 86914792

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide (CID 113312924) is 1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide is NCC1(C(=O)NCCCOCc2ccco2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide?
The InChIKey is MHOWGVQVUVINEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c14-10-13(4-5-13)12(16)15-6-2-7-17-9-11-3-1-8-18-11/h1,3,8H,2,4-7,9-10,14H2,(H,15,16).
What are the key properties of 1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 113312924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).