(2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide

C17H22N2O3 — CID 100758079

IUPAC(2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide
SMILESCCCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1C#N
InChIInChI=1S/C17H22N2O3/c1-4-9-22-15-8-7-14(10-12(15)11-18)19-16(20)17(2,21-3)13-5-6-13/h7-8,10,13H,4-6,9H2,1-3H3,(H,19,20)/t17-/m0/s1
InChIKeyXNLFUGWZIMISOE-KRWDZBQOSA-N
MW302.37 g/mol
LogP3.10
Rot. Bonds7

About (2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide

(2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide (PubChem CID 100758079) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide
PubChem CID100758079
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide
SMILESCCCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1C#N
InChIInChI=1S/C17H22N2O3/c1-4-9-22-15-8-7-14(10-12(15)11-18)19-16(20)17(2,21-3)13-5-6-13/h7-8,10,13H,4-6,9H2,1-3H3,(H,19,20)/t17-/m0/s1
InChIKeyXNLFUGWZIMISOE-KRWDZBQOSA-N
XLogP3.10
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205489
(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 100758108
N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205487
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
CID 133205492
N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 133203996
[2-cyano-4-[[(2R)-2-cyclopropyl-2-propoxypropanoyl]amino]phenyl] acetate
CID 100769018
N-(3-cyano-4-propoxyphenyl)-2-methoxy-2-methylhexanamide
CID 133229817
2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide
CID 133246208
N-(4-butoxy-3-cyanophenyl)-2-methyl-2-propoxypropanamide
CID 100763865
methyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate
CID 133229936
(2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide
CID 100760858
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 100709951

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide?
The IUPAC name of (2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide (CID 100758079) is (2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide.
What is the SMILES notation for (2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide?
The canonical SMILES for (2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide is CCCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1C#N.
What is the InChIKey of (2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide?
The InChIKey is XNLFUGWZIMISOE-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-9-22-15-8-7-14(10-12(15)11-18)19-16(20)17(2,21-3)13-5-6-13/h7-8,10,13H,4-6,9H2,1-3H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide?
(2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide has a molecular weight of 302.37 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide is sourced from PubChem (CID 100758079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).