(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide

C16H22ClNO4 — CID 100709951

IUPAC(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
SMILESCOCCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1Cl
InChIInChI=1S/C16H22ClNO4/c1-16(21-3,11-4-5-11)15(19)18-12-6-7-14(13(17)10-12)22-9-8-20-2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19)/t16-/m1/s1
InChIKeyPYMASCUBTTZIBE-MRXNPFEDSA-N
MW327.81 g/mol
LogP3.12
Rot. Bonds8

About (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide

(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide (PubChem CID 100709951) has the molecular formula C16H22ClNO4 and a molecular weight of 327.81 g/mol. Its IUPAC name is (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
PubChem CID100709951
Molecular FormulaC16H22ClNO4
Molecular Weight327.81 g/mol
Exact Mass327.12
IUPAC Name(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
SMILESCOCCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1Cl
InChIInChI=1S/C16H22ClNO4/c1-16(21-3,11-4-5-11)15(19)18-12-6-7-14(13(17)10-12)22-9-8-20-2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19)/t16-/m1/s1
InChIKeyPYMASCUBTTZIBE-MRXNPFEDSA-N
XLogP3.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100718617
methyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate
CID 133229936
(2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide
CID 100758079
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 100702581
N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
CID 133246493
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100727920
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100724136
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide
CID 100729354
4-[3-chloro-4-(2-methoxyethoxy)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133689
2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide
CID 133246208
N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 175055653
(2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739354

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide?
The IUPAC name of (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide (CID 100709951) is (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide.
What is the SMILES notation for (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide?
The canonical SMILES for (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide is COCCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1Cl.
What is the InChIKey of (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide?
The InChIKey is PYMASCUBTTZIBE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22ClNO4/c1-16(21-3,11-4-5-11)15(19)18-12-6-7-14(13(17)10-12)22-9-8-20-2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19)/t16-/m1/s1.
What are the key properties of (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide?
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide has a molecular weight of 327.81 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide is sourced from PubChem (CID 100709951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).