N-[4-(4-pentoxybutoxy)phenyl]acetamide

C17H27NO3 — CID 142679131

IUPACN-[4-(4-pentoxybutoxy)phenyl]acetamide
SMILESCCCCCOCCCCOc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H27NO3/c1-3-4-5-12-20-13-6-7-14-21-17-10-8-16(9-11-17)18-15(2)19/h8-11H,3-7,12-14H2,1-2H3,(H,18,19)
InChIKeyVZTGUXKQWCWYCO-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.01
Rot. Bonds11

About N-[4-(4-pentoxybutoxy)phenyl]acetamide

N-[4-(4-pentoxybutoxy)phenyl]acetamide (PubChem CID 142679131) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[4-(4-pentoxybutoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-pentoxybutoxy)phenyl]acetamide
PubChem CID142679131
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[4-(4-pentoxybutoxy)phenyl]acetamide
SMILESCCCCCOCCCCOc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H27NO3/c1-3-4-5-12-20-13-6-7-14-21-17-10-8-16(9-11-17)18-15(2)19/h8-11H,3-7,12-14H2,1-2H3,(H,18,19)
InChIKeyVZTGUXKQWCWYCO-UHFFFAOYSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126491954
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 4933763
N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide
CID 71261026
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
N-(4-decoxyphenyl)butanamide
CID 143303175
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
CID 18983779
1-(4-butoxyphenyl)-3-methylurea
CID 127511148
N-(4-butoxyphenyl)butanamide
CID 4939679
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
(propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate
CID 20872821

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-pentoxybutoxy)phenyl]acetamide?
The IUPAC name of N-[4-(4-pentoxybutoxy)phenyl]acetamide (CID 142679131) is N-[4-(4-pentoxybutoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-pentoxybutoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(4-pentoxybutoxy)phenyl]acetamide is CCCCCOCCCCOc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(4-pentoxybutoxy)phenyl]acetamide?
The InChIKey is VZTGUXKQWCWYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-4-5-12-20-13-6-7-14-21-17-10-8-16(9-11-17)18-15(2)19/h8-11H,3-7,12-14H2,1-2H3,(H,18,19).
What are the key properties of N-[4-(4-pentoxybutoxy)phenyl]acetamide?
N-[4-(4-pentoxybutoxy)phenyl]acetamide has a molecular weight of 293.41 g/mol, XLogP of 4.01, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-pentoxybutoxy)phenyl]acetamide is sourced from PubChem (CID 142679131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).