2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide

C14H24N2O2 — CID 81401011

IUPAC2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N[C@H](C)c1ccco1
InChIInChI=1S/C14H24N2O2/c1-5-7-10(2)15-14(17)12(4)16-11(3)13-8-6-9-18-13/h6,8-12,16H,5,7H2,1-4H3,(H,15,17)/t10?,11-,12?/m1/s1
InChIKeyVEHLVSJUPBHFEL-MOENNCHZSA-N
MW252.36 g/mol
LogP2.62
Rot. Bonds7

About 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide

2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide (PubChem CID 81401011) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide
PubChem CID81401011
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N[C@H](C)c1ccco1
InChIInChI=1S/C14H24N2O2/c1-5-7-10(2)15-14(17)12(4)16-11(3)13-8-6-9-18-13/h6,8-12,16H,5,7H2,1-4H3,(H,15,17)/t10?,11-,12?/m1/s1
InChIKeyVEHLVSJUPBHFEL-MOENNCHZSA-N
XLogP2.62
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81400011
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78948251
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81401281
(2S)-2-amino-N-[1-(furan-2-yl)ethyl]pentanamide
CID 107568236
N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43420221
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81374940
methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate
CID 8922155
(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 8919781
2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]pentanamide
CID 81399560
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81353387

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide (CID 81401011) is 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)N[C@H](C)c1ccco1.
What is the InChIKey of 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide?
The InChIKey is VEHLVSJUPBHFEL-MOENNCHZSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-7-10(2)15-14(17)12(4)16-11(3)13-8-6-9-18-13/h6,8-12,16H,5,7H2,1-4H3,(H,15,17)/t10?,11-,12?/m1/s1.
What are the key properties of 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide?
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide has a molecular weight of 252.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 81401011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).