N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide

C15H22ClNO3 — CID 139895476

IUPACN-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)Nc1ccc(OCCCl)cc1
InChIInChI=1S/C15H22ClNO3/c1-12(2)11-19-9-7-15(18)17-13-3-5-14(6-4-13)20-10-8-16/h3-6,12H,7-11H2,1-2H3,(H,17,18)
InChIKeyVYKNCPJCGOMLLC-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.31
Rot. Bonds9

About N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide

N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide (PubChem CID 139895476) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide
PubChem CID139895476
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC NameN-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)Nc1ccc(OCCCl)cc1
InChIInChI=1S/C15H22ClNO3/c1-12(2)11-19-9-7-15(18)17-13-3-5-14(6-4-13)20-10-8-16/h3-6,12H,7-11H2,1-2H3,(H,17,18)
InChIKeyVYKNCPJCGOMLLC-UHFFFAOYSA-N
XLogP3.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.31
H-Bond Donors ≤ 51
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

N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide
CID 139895595
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(2-methylpropoxy)propanamide
CID 46451811
N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide
CID 139895559
methyl 4-[3-(2-methylpropoxy)propanoylamino]benzoate
CID 38953143
3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515
4-chloro-N-(4-propan-2-yloxyphenyl)butanamide
CID 17161001
2-methoxyethyl 4-[4-(2-methylpropoxy)anilino]-4-oxobutanoate
CID 17339139
5-chloro-N-[4-(2-methoxyethoxy)phenyl]pentanamide
CID 43701603
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide
CID 55778329
N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide
CID 86981512
N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide
CID 139895573
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylpentanamide
CID 87006868

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide (CID 139895476) is N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide is CC(C)COCCC(=O)Nc1ccc(OCCCl)cc1.
What is the InChIKey of N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide?
The InChIKey is VYKNCPJCGOMLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-12(2)11-19-9-7-15(18)17-13-3-5-14(6-4-13)20-10-8-16/h3-6,12H,7-11H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide?
N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide has a molecular weight of 299.80 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 139895476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).