N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide

C18H21NO2 — CID 95639214

IUPACN-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide
SMILESC[C@@H](CCc1ccco1)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C18H21NO2/c1-14(9-10-16-8-5-13-21-16)19-17(20)18(11-12-18)15-6-3-2-4-7-15/h2-8,13-14H,9-12H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyRNTNBJFFWWNQPV-AWEZNQCLSA-N
MW283.37 g/mol
LogP3.45
Rot. Bonds6

About N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide

N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 95639214) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID95639214
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide
SMILESC[C@@H](CCc1ccco1)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C18H21NO2/c1-14(9-10-16-8-5-13-21-16)19-17(20)18(11-12-18)15-6-3-2-4-7-15/h2-8,13-14H,9-12H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyRNTNBJFFWWNQPV-AWEZNQCLSA-N
XLogP3.45
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
1-cyano-N-[4-(furan-2-yl)butan-2-yl]cyclopentane-1-carboxamide
CID 60717527
N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide
CID 115661895
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[4-(furan-2-yl)butan-2-yl]-2-methylpiperidine-2-carboxamide
CID 104596634
N-[4-(furan-2-yl)-4-oxobutan-2-yl]-4-phenyloxane-4-carboxamide
CID 122144052
1-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-3-methylcyclobutane-1-carboxamide
CID 80588451
2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid
CID 79842257
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
CID 63134948
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
1-(4-tert-butylphenyl)-N-[2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 55606445

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide (CID 95639214) is N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide is C[C@@H](CCc1ccco1)NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is RNTNBJFFWWNQPV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(9-10-16-8-5-13-21-16)19-17(20)18(11-12-18)15-6-3-2-4-7-15/h2-8,13-14H,9-12H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide?
N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 95639214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).