(3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide

C21H29NO3 — CID 160992825

IUPAC(3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide
SMILESCC(C)Oc1cc(C(=O)C[C@](C)(CC(N)=O)C2CC2)ccc1C1CC1
InChIInChI=1S/C21H29NO3/c1-13(2)25-19-10-15(6-9-17(19)14-4-5-14)18(23)11-21(3,12-20(22)24)16-7-8-16/h6,9-10,13-14,16H,4-5,7-8,11-12H2,1-3H3,(H2,22,24)/t21-/m1/s1
InChIKeyTUWCKTYZECFZRH-OAQYLSRUSA-N
MW343.47 g/mol
LogP4.22
Rot. Bonds9

About (3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide

(3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide (PubChem CID 160992825) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide.

Molecular Properties

Compound Name(3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide
PubChem CID160992825
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name(3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide
SMILESCC(C)Oc1cc(C(=O)C[C@](C)(CC(N)=O)C2CC2)ccc1C1CC1
InChIInChI=1S/C21H29NO3/c1-13(2)25-19-10-15(6-9-17(19)14-4-5-14)18(23)11-21(3,12-20(22)24)16-7-8-16/h6,9-10,13-14,16H,4-5,7-8,11-12H2,1-3H3,(H2,22,24)/t21-/m1/s1
InChIKeyTUWCKTYZECFZRH-OAQYLSRUSA-N
XLogP4.22
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide
CID 161363088
N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-4-cyclopropyl-3-(1,2,2-trifluoroethoxy)benzamide
CID 175412561
(2S)-1-(4-cyclopropyl-3-propan-2-yloxybenzoyl)-4,4-difluoropyrrolidine-2-carboxamide
CID 129216413
4-cyclopropyl-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-propan-2-yloxybenzamide
CID 135350899
N-[(2S)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzamide
CID 129216330
N-(4-amino-2-cyclopropyl-4-oxobutan-2-yl)-5-cyclopropyl-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide
CID 90204486
4-(4-fluoro-2-propan-2-yloxyphenyl)cyclohexane-1-carboxylic acid
CID 171115826
4-cyclopropyl-N-[(2S)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-propan-2-yloxybenzamide
CID 129216412
1-cyclopropyl-2-propan-2-yloxybenzene
CID 121339492
tert-butyl 4-[(3,5-dicyclopropylphenyl)methylamino]-3-propan-2-yloxybenzoate
CID 162751850
4-cyclohexyl-3-ethoxybenzoic acid
CID 163304407
4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyaniline
CID 175810528

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide?
The IUPAC name of (3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide (CID 160992825) is (3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide.
What is the SMILES notation for (3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide?
The canonical SMILES for (3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide is CC(C)Oc1cc(C(=O)C[C@](C)(CC(N)=O)C2CC2)ccc1C1CC1.
What is the InChIKey of (3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide?
The InChIKey is TUWCKTYZECFZRH-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H29NO3/c1-13(2)25-19-10-15(6-9-17(19)14-4-5-14)18(23)11-21(3,12-20(22)24)16-7-8-16/h6,9-10,13-14,16H,4-5,7-8,11-12H2,1-3H3,(H2,22,24)/t21-/m1/s1.
What are the key properties of (3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide?
(3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide has a molecular weight of 343.47 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopropyl-5-(4-cyclopropyl-3-propan-2-yloxyphenyl)-3-methyl-5-oxopentanamide is sourced from PubChem (CID 160992825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).