N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide

C15H22ClNO3 — CID 139895559

IUPACN-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(OCCCCl)cc1
InChIInChI=1S/C15H22ClNO3/c1-2-10-19-12-8-15(18)17-13-4-6-14(7-5-13)20-11-3-9-16/h4-7H,2-3,8-12H2,1H3,(H,17,18)
InChIKeyXIFXPRGJEZGIKU-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.45
Rot. Bonds10

About N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide

N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide (PubChem CID 139895559) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide.

Molecular Properties

Compound NameN-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide
PubChem CID139895559
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC NameN-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(OCCCCl)cc1
InChIInChI=1S/C15H22ClNO3/c1-2-10-19-12-8-15(18)17-13-4-6-14(7-5-13)20-11-3-9-16/h4-7H,2-3,8-12H2,1H3,(H,17,18)
InChIKeyXIFXPRGJEZGIKU-UHFFFAOYSA-N
XLogP3.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.45
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-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide
CID 139895573
3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515
N-(4-butoxyphenyl)butanamide
CID 4939679
N-[4-(2-chloroethoxy)phenyl]-3-(2-methylpropoxy)propanamide
CID 139895476
N-(4-bromophenyl)-3-propoxypropanamide
CID 55208743
5-chloro-N-[4-(2-methoxyethoxy)phenyl]pentanamide
CID 43701603
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide
CID 139895483
N-(4-decoxyphenyl)butanamide
CID 143303175
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
N-(4-butoxyphenyl)-4-chloro-3-oxobutanamide
CID 86085485

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide?
The IUPAC name of N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide (CID 139895559) is N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide.
What is the SMILES notation for N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide?
The canonical SMILES for N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide is CCCOCCC(=O)Nc1ccc(OCCCCl)cc1.
What is the InChIKey of N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide?
The InChIKey is XIFXPRGJEZGIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-2-10-19-12-8-15(18)17-13-4-6-14(7-5-13)20-11-3-9-16/h4-7H,2-3,8-12H2,1H3,(H,17,18).
What are the key properties of N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide?
N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide has a molecular weight of 299.80 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide is sourced from PubChem (CID 139895559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).