4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide

C15H22ClNO3 — CID 60981287

IUPAC4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCN(CCOC)C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C15H22ClNO3/c1-19-10-3-8-17(9-11-20-2)15(18)14-6-4-13(12-16)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeyXDDKDDMAFIFKHH-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.55
Rot. Bonds9

About 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide

4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide (PubChem CID 60981287) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
PubChem CID60981287
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCN(CCOC)C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C15H22ClNO3/c1-19-10-3-8-17(9-11-20-2)15(18)14-6-4-13(12-16)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeyXDDKDDMAFIFKHH-UHFFFAOYSA-N
XLogP2.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43168099
3-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981417
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 70804384
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide
CID 107026123
4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide
CID 82960871
3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 63188742
3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 79672066
3-hydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54989912
3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61025267
3-[benzoyl(3-methoxypropyl)amino]propanoic acid
CID 82324502
N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 63287136
N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998591

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide (CID 60981287) is 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide is COCCCN(CCOC)C(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
The InChIKey is XDDKDDMAFIFKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-19-10-3-8-17(9-11-20-2)15(18)14-6-4-13(12-16)5-7-14/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide has a molecular weight of 299.80 g/mol, XLogP of 2.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 60981287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).