N-[(1R)-1-phenylbutyl]furan-2-carboxamide

C15H17NO2 — CID 29086850

IUPACN-[(1R)-1-phenylbutyl]furan-2-carboxamide
SMILESCCC[C@@H](NC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C15H17NO2/c1-2-7-13(12-8-4-3-5-9-12)16-15(17)14-10-6-11-18-14/h3-6,8-11,13H,2,7H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyPUMSNPURXMQHQB-CYBMUJFWSA-N
MW243.31 g/mol
LogP3.55
Rot. Bonds5

About N-[(1R)-1-phenylbutyl]furan-2-carboxamide

N-[(1R)-1-phenylbutyl]furan-2-carboxamide (PubChem CID 29086850) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(1R)-1-phenylbutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylbutyl]furan-2-carboxamide
PubChem CID29086850
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-[(1R)-1-phenylbutyl]furan-2-carboxamide
SMILESCCC[C@@H](NC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C15H17NO2/c1-2-7-13(12-8-4-3-5-9-12)16-15(17)14-10-6-11-18-14/h3-6,8-11,13H,2,7H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyPUMSNPURXMQHQB-CYBMUJFWSA-N
XLogP3.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(furan-2-carbonylamino)-3-phenylpropanoate
CID 6942649
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
(E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide
CID 16626046
N-(1,1-diphenylpropan-2-yl)furan-2-carboxamide
CID 46432017
(3S)-3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 738792
1-phenylbutylurea
CID 2852079
(3S)-3-(4-fluorophenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 783067
N-[1-(3,3-diphenylpropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24665013
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
(2R)-2-(furan-2-carbonylamino)butanoic acid
CID 858760
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
benzyl N-(1-phenylbutyl)carbamate
CID 101400436

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylbutyl]furan-2-carboxamide?
The IUPAC name of N-[(1R)-1-phenylbutyl]furan-2-carboxamide (CID 29086850) is N-[(1R)-1-phenylbutyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-phenylbutyl]furan-2-carboxamide?
The canonical SMILES for N-[(1R)-1-phenylbutyl]furan-2-carboxamide is CCC[C@@H](NC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylbutyl]furan-2-carboxamide?
The InChIKey is PUMSNPURXMQHQB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-7-13(12-8-4-3-5-9-12)16-15(17)14-10-6-11-18-14/h3-6,8-11,13H,2,7H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-phenylbutyl]furan-2-carboxamide?
N-[(1R)-1-phenylbutyl]furan-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylbutyl]furan-2-carboxamide is sourced from PubChem (CID 29086850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).