N-(4-butoxyphenyl)butanamide

C14H21NO2 — CID 4939679

IUPACN-(4-butoxyphenyl)butanamide
SMILESCCCCOc1ccc(NC(=O)CCC)cc1
InChIInChI=1S/C14H21NO2/c1-3-5-11-17-13-9-7-12(8-10-13)15-14(16)6-4-2/h7-10H,3-6,11H2,1-2H3,(H,15,16)
InChIKeyJZIJXAFLPQXHJO-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.60
Rot. Bonds7

About N-(4-butoxyphenyl)butanamide

N-(4-butoxyphenyl)butanamide (PubChem CID 4939679) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4-butoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)butanamide
PubChem CID4939679
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(4-butoxyphenyl)butanamide
SMILESCCCCOc1ccc(NC(=O)CCC)cc1
InChIInChI=1S/C14H21NO2/c1-3-5-11-17-13-9-7-12(8-10-13)15-14(16)6-4-2/h7-10H,3-6,11H2,1-2H3,(H,15,16)
InChIKeyJZIJXAFLPQXHJO-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-decoxyphenyl)butanamide
CID 143303175
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
5-(4-butoxyanilino)-5-oxopentanoic acid
CID 4939768
3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
N-[4-(2-ethenoxyethoxy)phenyl]pentanamide
CID 102477298
5-(4-hexoxyanilino)-5-oxopentanoic acid
CID 4939430
N-(4-butoxyphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178102
N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4938631
4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide
CID 139895483

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)butanamide?
The IUPAC name of N-(4-butoxyphenyl)butanamide (CID 4939679) is N-(4-butoxyphenyl)butanamide.
What is the SMILES notation for N-(4-butoxyphenyl)butanamide?
The canonical SMILES for N-(4-butoxyphenyl)butanamide is CCCCOc1ccc(NC(=O)CCC)cc1.
What is the InChIKey of N-(4-butoxyphenyl)butanamide?
The InChIKey is JZIJXAFLPQXHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-5-11-17-13-9-7-12(8-10-13)15-14(16)6-4-2/h7-10H,3-6,11H2,1-2H3,(H,15,16).
What are the key properties of N-(4-butoxyphenyl)butanamide?
N-(4-butoxyphenyl)butanamide has a molecular weight of 235.33 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)butanamide is sourced from PubChem (CID 4939679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).