(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide

C18H27NO3 — CID 100718104

IUPAC(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
SMILESCCCO[C@](C)(C(=O)Nc1ccc(OCC)c(C)c1)C1CC1
InChIInChI=1S/C18H27NO3/c1-5-11-22-18(4,14-7-8-14)17(20)19-15-9-10-16(21-6-2)13(3)12-15/h9-10,12,14H,5-8,11H2,1-4H3,(H,19,20)/t18-/m0/s1
InChIKeyYFBMTHMSZOVUNJ-SFHVURJKSA-N
MW305.42 g/mol
LogP3.93
Rot. Bonds8

About (2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide

(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide (PubChem CID 100718104) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
PubChem CID100718104
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
SMILESCCCO[C@](C)(C(=O)Nc1ccc(OCC)c(C)c1)C1CC1
InChIInChI=1S/C18H27NO3/c1-5-11-22-18(4,14-7-8-14)17(20)19-15-9-10-16(21-6-2)13(3)12-15/h9-10,12,14H,5-8,11H2,1-4H3,(H,19,20)/t18-/m0/s1
InChIKeyYFBMTHMSZOVUNJ-SFHVURJKSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclopropyl-N-(4-ethoxy-3,5-dimethylphenyl)-2-propoxypropanamide
CID 100718308
ethyl 5-[[(2S)-2-cyclopropyl-2-propoxypropanoyl]amino]-2-propoxybenzoate
CID 100768779
(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100718617
N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205489
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100717361
(2S)-2-cyclopropyl-N-(5-methyl-6-propoxy-3-pyridinyl)-2-propoxypropanamide
CID 100778809
N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205487
N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 133203996
(2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide
CID 100718062
[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
(2S)-2-cyclopropyl-2-propoxy-N-(6-propoxy-3-pyridinyl)propanamide
CID 100778739

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide?
The IUPAC name of (2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide (CID 100718104) is (2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide.
What is the SMILES notation for (2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide?
The canonical SMILES for (2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide is CCCO[C@](C)(C(=O)Nc1ccc(OCC)c(C)c1)C1CC1.
What is the InChIKey of (2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide?
The InChIKey is YFBMTHMSZOVUNJ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27NO3/c1-5-11-22-18(4,14-7-8-14)17(20)19-15-9-10-16(21-6-2)13(3)12-15/h9-10,12,14H,5-8,11H2,1-4H3,(H,19,20)/t18-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide?
(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide has a molecular weight of 305.42 g/mol, XLogP of 3.93, 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-methylphenyl)-2-propoxypropanamide is sourced from PubChem (CID 100718104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).