N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide

C16H22ClNO4 — CID 48500260

IUPACN-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide
SMILESCOCCOc1ccc(NC(=O)C(C)OCC2CC2)cc1Cl
InChIInChI=1S/C16H22ClNO4/c1-11(22-10-12-3-4-12)16(19)18-13-5-6-15(14(17)9-13)21-8-7-20-2/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,18,19)
InChIKeyPIDREVROORHDII-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.12
Rot. Bonds9

About N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide

N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide (PubChem CID 48500260) has the molecular formula C16H22ClNO4 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide
PubChem CID48500260
Molecular FormulaC16H22ClNO4
Molecular Weight327.81 g/mol
Exact Mass327.12
IUPAC NameN-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide
SMILESCOCCOc1ccc(NC(=O)C(C)OCC2CC2)cc1Cl
InChIInChI=1S/C16H22ClNO4/c1-11(22-10-12-3-4-12)16(19)18-13-5-6-15(14(17)9-13)21-8-7-20-2/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,18,19)
InChIKeyPIDREVROORHDII-UHFFFAOYSA-N
XLogP3.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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'}

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Related Compounds

2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119298223
N-[2-chloro-5-(propanoylamino)phenyl]-2-(cyclopropylmethoxy)propanamide
CID 48521300
5-[2-(cyclopropylmethoxy)propanoylamino]-2-fluoro-N-methylbenzamide
CID 49176640
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 100709951
3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide
CID 119739551
1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea
CID 47349978
N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 175055653
4-(3-chloro-4-propoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496736
(2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide
CID 99776072
2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
CID 47079469
2-(4-chloro-2-methylphenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 55624317
(2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624364

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide?
The IUPAC name of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide (CID 48500260) is N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide.
What is the SMILES notation for N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide?
The canonical SMILES for N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide is COCCOc1ccc(NC(=O)C(C)OCC2CC2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide?
The InChIKey is PIDREVROORHDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO4/c1-11(22-10-12-3-4-12)16(19)18-13-5-6-15(14(17)9-13)21-8-7-20-2/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide?
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide has a molecular weight of 327.81 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide is sourced from PubChem (CID 48500260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).