N-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C20H29FN2O2 — CID 47044236

IUPACN-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)NC(CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C20H29FN2O2/c1-13-11-16(13)19(25)22-10-9-18(24)23-17(12-20(2,3)4)14-5-7-15(21)8-6-14/h5-8,13,16-17H,9-12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyKYQJGMUGBAVAOW-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.58
Rot. Bonds7

About N-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

N-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 47044236) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is N-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID47044236
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC NameN-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)NC(CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C20H29FN2O2/c1-13-11-16(13)19(25)22-10-9-18(24)23-17(12-20(2,3)4)14-5-7-15(21)8-6-14/h5-8,13,16-17H,9-12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyKYQJGMUGBAVAOW-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 103944596
2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride
CID 119724732
N',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide
CID 56521765
N-[3-[[(4-chlorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55651655
2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide
CID 119724723
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-thiomorpholin-4-ylacetamide
CID 86889513
N-[3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 51103810
N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 71942014
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899211
N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide
CID 51954474
cis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 94618604
3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide
CID 55751308

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 47044236) is N-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCCC(=O)NC(CC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is KYQJGMUGBAVAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-13-11-16(13)19(25)22-10-9-18(24)23-17(12-20(2,3)4)14-5-7-15(21)8-6-14/h5-8,13,16-17H,9-12H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
N-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 348.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 47044236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).