ethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide

C23H41NO3 — CID 145466629

IUPACethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCC.CC.CC.COC(C)(C)C(NC(=O)C1C[C@H]1c1ccccc1)C(C)=O
InChIInChI=1S/C17H23NO3.3C2H6/c1-11(19)15(17(2,3)21-4)18-16(20)14-10-13(14)12-8-6-5-7-9-12;3*1-2/h5-9,13-15H,10H2,1-4H3,(H,18,20);3*1-2H3/t13-,14?,15?;;;/m0.../s1
InChIKeyPXZPDYDVGCDVDZ-AMUUMXDPSA-N
MW379.59 g/mol
LogP5.37
Rot. Bonds6

About ethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide

ethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 145466629) has the molecular formula C23H41NO3 and a molecular weight of 379.59 g/mol. Its IUPAC name is ethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nameethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID145466629
Molecular FormulaC23H41NO3
Molecular Weight379.59 g/mol
Exact Mass379.31
IUPAC Nameethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCC.CC.CC.COC(C)(C)C(NC(=O)C1C[C@H]1c1ccccc1)C(C)=O
InChIInChI=1S/C17H23NO3.3C2H6/c1-11(19)15(17(2,3)21-4)18-16(20)14-10-13(14)12-8-6-5-7-9-12;3*1-2/h5-9,13-15H,10H2,1-4H3,(H,18,20);3*1-2H3/t13-,14?,15?;;;/m0.../s1
InChIKeyPXZPDYDVGCDVDZ-AMUUMXDPSA-N
XLogP5.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]-7-phenylheptanamide
CID 70688797
N-[(3S)-2-oxooxetan-3-yl]-7-phenylheptanamide
CID 25271270
Methyl 2-[(2-oxo-8-phenyloctanoyl)amino]acetate
CID 44563076
methyl (2S)-2-[[(4R)-4-amino-3-oxo-5-phenylpentanoyl]amino]-4-methylpentanoate
CID 71818993
(2S)-3-methyl-2-[(2-oxo-6-phenylhexanoyl)amino]butanoic acid
CID 127025415
(2R)-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(2-methylpropyl)-4-oxo-8-phenyloctanamide
CID 44288507
(2R)-N-[(2R)-1-methoxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11254428
(2R)-N-[(2S)-1-methoxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11300383
methyl (2R)-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate
CID 11369818
7-phenyl-N-propan-2-yl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanamide
CID 14031662
Methyl 2-(7-phenylheptanoylamino)acetate
CID 44563078
hydrocinnamoyl-Phe-Ser(tBu)-Leu-NH2
CID 46879363

Frequently Asked Questions

What is the IUPAC name of ethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of ethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide (CID 145466629) is ethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for ethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for ethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide is CC.CC.CC.COC(C)(C)C(NC(=O)C1C[C@H]1c1ccccc1)C(C)=O.
What is the InChIKey of ethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is PXZPDYDVGCDVDZ-AMUUMXDPSA-N. The full InChI is InChI=1S/C17H23NO3.3C2H6/c1-11(19)15(17(2,3)21-4)18-16(20)14-10-13(14)12-8-6-5-7-9-12;3*1-2/h5-9,13-15H,10H2,1-4H3,(H,18,20);3*1-2H3/t13-,14?,15?;;;/m0.../s1.
What are the key properties of ethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide?
ethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 379.59 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 145466629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).