N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide

C13H20N2O2 — CID 93452004

IUPACN-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)CCc1ccco1
InChIInChI=1S/C13H20N2O2/c14-11-5-1-2-6-12(11)15-13(16)8-7-10-4-3-9-17-10/h3-4,9,11-12H,1-2,5-8,14H2,(H,15,16)/t11-,12-/m1/s1
InChIKeyRYAHUKULXVMSPU-VXGBXAGGSA-N
MW236.31 g/mol
LogP1.60
Rot. Bonds4

About N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide

N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide (PubChem CID 93452004) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide
PubChem CID93452004
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)CCc1ccco1
InChIInChI=1S/C13H20N2O2/c14-11-5-1-2-6-12(11)15-13(16)8-7-10-4-3-9-17-10/h3-4,9,11-12H,1-2,5-8,14H2,(H,15,16)/t11-,12-/m1/s1
InChIKeyRYAHUKULXVMSPU-VXGBXAGGSA-N
XLogP1.60
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 64813064
N-(3-aminocyclobutyl)-3-(furan-2-yl)propanamide
CID 43594940
N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide
CID 40505929
3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64928523
N-[(1R,2R)-2-aminocyclohexyl]-3-pyridin-4-ylpropanamide
CID 113265421
cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine
CID 124676095
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide
CID 66211531
N-(3-cyclopentyl-3-oxopropyl)-3-(furan-2-yl)propanamide
CID 58762649
1-cyclobutyl-3-(furan-2-yl)propan-1-one
CID 105133720
N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide
CID 63257730
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide
CID 61123204
N-(2-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 19750865

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide (CID 93452004) is N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide is N[C@@H]1CCCC[C@H]1NC(=O)CCc1ccco1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide?
The InChIKey is RYAHUKULXVMSPU-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-11-5-1-2-6-12(11)15-13(16)8-7-10-4-3-9-17-10/h3-4,9,11-12H,1-2,5-8,14H2,(H,15,16)/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide?
N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 93452004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).