N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide

C14H22N2O2 — CID 7256034

IUPACN-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide
SMILESC[C@H]1CCC[C@H](NCCNC(=O)c2ccco2)C1
InChIInChI=1S/C14H22N2O2/c1-11-4-2-5-12(10-11)15-7-8-16-14(17)13-6-3-9-18-13/h3,6,9,11-12,15H,2,4-5,7-8,10H2,1H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyQEFCCBOBMYWSRE-RYUDHWBXSA-N
MW250.34 g/mol
LogP2.18
Rot. Bonds5

About N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide

N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide (PubChem CID 7256034) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide
PubChem CID7256034
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide
SMILESC[C@H]1CCC[C@H](NCCNC(=O)c2ccco2)C1
InChIInChI=1S/C14H22N2O2/c1-11-4-2-5-12(10-11)15-7-8-16-14(17)13-6-3-9-18-13/h3,6,9,11-12,15H,2,4-5,7-8,10H2,1H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyQEFCCBOBMYWSRE-RYUDHWBXSA-N
XLogP2.18
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.18
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

N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156886
N-[2-[(3-methylcyclohexyl)amino]ethyl]furan-2-carboxamide;oxalic acid
CID 126468859
N-[2-[(4-methylcyclohexyl)amino]ethyl]furan-2-carboxamide
CID 3156885
N-[2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]furan-2-carboxamide
CID 99625244
N-(4-methylcycloheptyl)furan-2-carboxamide
CID 102795196
N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119620715
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
N-(3,5-dimethylcyclohexyl)furan-2-carboxamide
CID 64722741
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 51552986
3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide
CID 3403393
N-cyclooctylfuran-2-carboxamide
CID 790432

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide (CID 7256034) is N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide is C[C@H]1CCC[C@H](NCCNC(=O)c2ccco2)C1.
What is the InChIKey of N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is QEFCCBOBMYWSRE-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-4-2-5-12(10-11)15-7-8-16-14(17)13-6-3-9-18-13/h3,6,9,11-12,15H,2,4-5,7-8,10H2,1H3,(H,16,17)/t11-,12-/m0/s1.
What are the key properties of N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 7256034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).