N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide

C13H22N2O2 — CID 81400011

IUPACN-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N[C@H](C)c1ccco1
InChIInChI=1S/C13H22N2O2/c1-4-5-8-14-13(16)11(3)15-10(2)12-7-6-9-17-12/h6-7,9-11,15H,4-5,8H2,1-3H3,(H,14,16)/t10-,11?/m1/s1
InChIKeyHCYGSNSORSPRCH-NFJWQWPMSA-N
MW238.33 g/mol
LogP2.23
Rot. Bonds7

About N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide

N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide (PubChem CID 81400011) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
PubChem CID81400011
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N[C@H](C)c1ccco1
InChIInChI=1S/C13H22N2O2/c1-4-5-8-14-13(16)11(3)15-10(2)12-7-6-9-17-12/h6-7,9-11,15H,4-5,8H2,1-3H3,(H,14,16)/t10-,11?/m1/s1
InChIKeyHCYGSNSORSPRCH-NFJWQWPMSA-N
XLogP2.23
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.23
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

2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81401011
1-butyl-3-[1-(furan-2-yl)ethyl]urea
CID 47113388
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81401281
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
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
1-[1-(furan-2-yl)ethyl]-3-propylurea
CID 110748894
(2S)-N-cyclopentyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanamide
CID 93035997
N-(furan-2-ylmethyl)-2-(heptan-2-ylamino)propanamide
CID 60677219
2-[1-(furan-2-yl)ethylamino]-N,N-dimethylpropanamide
CID 43401095
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]hexanamide
CID 81399941

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide?
The IUPAC name of N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide (CID 81400011) is N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide.
What is the SMILES notation for N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide?
The canonical SMILES for N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide is CCCCNC(=O)C(C)N[C@H](C)c1ccco1.
What is the InChIKey of N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide?
The InChIKey is HCYGSNSORSPRCH-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-5-8-14-13(16)11(3)15-10(2)12-7-6-9-17-12/h6-7,9-11,15H,4-5,8H2,1-3H3,(H,14,16)/t10-,11?/m1/s1.
What are the key properties of N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide?
N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide has a molecular weight of 238.33 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide is sourced from PubChem (CID 81400011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).