N-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide

C14H20ClNO2 — CID 110788828

IUPACN-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide
SMILESCCOc1cc(C)c(CCNC(=O)CC)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-4-14(17)16-7-6-11-9-12(15)13(18-5-2)8-10(11)3/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyRWHDQDAIKUDTIQ-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide

N-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide (PubChem CID 110788828) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide
PubChem CID110788828
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide
SMILESCCOc1cc(C)c(CCNC(=O)CC)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-4-14(17)16-7-6-11-9-12(15)13(18-5-2)8-10(11)3/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyRWHDQDAIKUDTIQ-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea
CID 110775837
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide
CID 110781893
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808
3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
CID 95447725
1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea
CID 110775836
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]propan-1-amine
CID 95455460
2-chloro-1-(5-chloro-4-ethoxy-2-methylphenyl)ethanone
CID 82295620
5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide
CID 110788062
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 5221281
1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine
CID 112513504

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide?
The IUPAC name of N-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide (CID 110788828) is N-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for N-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide?
The canonical SMILES for N-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide is CCOc1cc(C)c(CCNC(=O)CC)cc1Cl.
What is the InChIKey of N-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide?
The InChIKey is RWHDQDAIKUDTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-14(17)16-7-6-11-9-12(15)13(18-5-2)8-10(11)3/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide?
N-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide has a molecular weight of 269.77 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 110788828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).