(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide

C18H26ClNO3 — CID 100718617

IUPAC(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
SMILESCCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)cc1Cl
InChIInChI=1S/C18H26ClNO3/c1-4-10-22-16-9-8-14(12-15(16)19)20-17(21)18(3,13-6-7-13)23-11-5-2/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,20,21)/t18-/m1/s1
InChIKeyKCFHDXXLSOBIDO-GOSISDBHSA-N
MW339.86 g/mol
LogP4.66
Rot. Bonds9

About (2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide

(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide (PubChem CID 100718617) has the molecular formula C18H26ClNO3 and a molecular weight of 339.86 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
PubChem CID100718617
Molecular FormulaC18H26ClNO3
Molecular Weight339.86 g/mol
Exact Mass339.16
IUPAC Name(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
SMILESCCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)cc1Cl
InChIInChI=1S/C18H26ClNO3/c1-4-10-22-16-9-8-14(12-15(16)19)20-17(21)18(3,13-6-7-13)23-11-5-2/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,20,21)/t18-/m1/s1
InChIKeyKCFHDXXLSOBIDO-GOSISDBHSA-N
XLogP4.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.86
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
CID 133246493
N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205489
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 100709951
ethyl 5-[[(2S)-2-cyclopropyl-2-propoxypropanoyl]amino]-2-propoxybenzoate
CID 100768779
(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
CID 100718104
2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
CID 61266597
(2S)-2-cyclopropyl-2-propoxy-N-(6-propoxy-3-pyridinyl)propanamide
CID 100778739
3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide
CID 81489388
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100717361
N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205487
[2-cyano-4-[[(2R)-2-cyclopropyl-2-propoxypropanoyl]amino]phenyl] acetate
CID 100769018
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
CID 133205492

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
The IUPAC name of (2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide (CID 100718617) is (2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
The canonical SMILES for (2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide is CCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)cc1Cl.
What is the InChIKey of (2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
The InChIKey is KCFHDXXLSOBIDO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26ClNO3/c1-4-10-22-16-9-8-14(12-15(16)19)20-17(21)18(3,13-6-7-13)23-11-5-2/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,20,21)/t18-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide has a molecular weight of 339.86 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide is sourced from PubChem (CID 100718617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).