N-(3-ethylphenyl)decanamide

C18H29NO — CID 4053743

IUPACN-(3-ethylphenyl)decanamide
SMILESCCCCCCCCCC(=O)Nc1cccc(CC)c1
InChIInChI=1S/C18H29NO/c1-3-5-6-7-8-9-10-14-18(20)19-17-13-11-12-16(4-2)15-17/h11-13,15H,3-10,14H2,1-2H3,(H,19,20)
InChIKeyCGEKRTVQTFXCMV-UHFFFAOYSA-N
MW275.44 g/mol
LogP5.33
Rot. Bonds10

About N-(3-ethylphenyl)decanamide

N-(3-ethylphenyl)decanamide (PubChem CID 4053743) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(3-ethylphenyl)decanamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)decanamide
PubChem CID4053743
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(3-ethylphenyl)decanamide
SMILESCCCCCCCCCC(=O)Nc1cccc(CC)c1
InChIInChI=1S/C18H29NO/c1-3-5-6-7-8-9-10-14-18(20)19-17-13-11-12-16(4-2)15-17/h11-13,15H,3-10,14H2,1-2H3,(H,19,20)
InChIKeyCGEKRTVQTFXCMV-UHFFFAOYSA-N
XLogP5.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
CID 101187552
N-[3-(chloromethyl)phenyl]hexanamide
CID 114293212
2-[3-(hexanoylamino)phenyl]acetic acid
CID 65345952
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
N-(3-iodophenyl)octanamide
CID 55026619
N-(3-sulfanylphenyl)heptanamide
CID 173451208
N-(3-bromophenyl)heptanamide
CID 4596383
methyl 3-(decanoylamino)benzoate
CID 142485980
3-(heptanoylamino)benzamide
CID 54789184
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)decanamide?
The IUPAC name of N-(3-ethylphenyl)decanamide (CID 4053743) is N-(3-ethylphenyl)decanamide.
What is the SMILES notation for N-(3-ethylphenyl)decanamide?
The canonical SMILES for N-(3-ethylphenyl)decanamide is CCCCCCCCCC(=O)Nc1cccc(CC)c1.
What is the InChIKey of N-(3-ethylphenyl)decanamide?
The InChIKey is CGEKRTVQTFXCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-5-6-7-8-9-10-14-18(20)19-17-13-11-12-16(4-2)15-17/h11-13,15H,3-10,14H2,1-2H3,(H,19,20).
What are the key properties of N-(3-ethylphenyl)decanamide?
N-(3-ethylphenyl)decanamide has a molecular weight of 275.44 g/mol, XLogP of 5.33, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)decanamide is sourced from PubChem (CID 4053743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).