(2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide

C19H29NO3 — CID 100718308

IUPAC(2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide
SMILESCCCO[C@](C)(C(=O)Nc1cc(C)c(OCC)c(C)c1)C1CC1
InChIInChI=1S/C19H29NO3/c1-6-10-23-19(5,15-8-9-15)18(21)20-16-11-13(3)17(22-7-2)14(4)12-16/h11-12,15H,6-10H2,1-5H3,(H,20,21)/t19-/m0/s1
InChIKeyQTAPHXXEQUWJQE-IBGZPJMESA-N
MW319.45 g/mol
LogP4.24
Rot. Bonds8

About (2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide

(2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide (PubChem CID 100718308) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide
PubChem CID100718308
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name(2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide
SMILESCCCO[C@](C)(C(=O)Nc1cc(C)c(OCC)c(C)c1)C1CC1
InChIInChI=1S/C19H29NO3/c1-6-10-23-19(5,15-8-9-15)18(21)20-16-11-13(3)17(22-7-2)14(4)12-16/h11-12,15H,6-10H2,1-5H3,(H,20,21)/t19-/m0/s1
InChIKeyQTAPHXXEQUWJQE-IBGZPJMESA-N
XLogP4.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
CID 100718104
(2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide
CID 100709750
(2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide
CID 100778809
N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 100690476
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100717361
ethyl 5-[[(2S)-2-cyclopropyl-2-propoxypropanoyl]amino]-2-propoxybenzoate
CID 100768779
(2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide
CID 100718062
(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100718617
(2S)-2-cyclopropyl-2-propoxy-N-(6-propoxy-3-pyridinyl)propanamide
CID 100778739
N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 133246537
(2S)-N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 100722577
(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100723924

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide?
The IUPAC name of (2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide (CID 100718308) is (2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide.
What is the SMILES notation for (2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide?
The canonical SMILES for (2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide is CCCO[C@](C)(C(=O)Nc1cc(C)c(OCC)c(C)c1)C1CC1.
What is the InChIKey of (2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide?
The InChIKey is QTAPHXXEQUWJQE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29NO3/c1-6-10-23-19(5,15-8-9-15)18(21)20-16-11-13(3)17(22-7-2)14(4)12-16/h11-12,15H,6-10H2,1-5H3,(H,20,21)/t19-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide?
(2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide has a molecular weight of 319.45 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide is sourced from PubChem (CID 100718308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).