N-ethyl-2-[4-(octylamino)phenyl]acetamide

C18H30N2O — CID 43737514

IUPACN-ethyl-2-[4-(octylamino)phenyl]acetamide
SMILESCCCCCCCCNc1ccc(CC(=O)NCC)cc1
InChIInChI=1S/C18H30N2O/c1-3-5-6-7-8-9-14-20-17-12-10-16(11-13-17)15-18(21)19-4-2/h10-13,20H,3-9,14-15H2,1-2H3,(H,19,21)
InChIKeyBPXVOELXRMVJIA-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.14
Rot. Bonds11

About N-ethyl-2-[4-(octylamino)phenyl]acetamide

N-ethyl-2-[4-(octylamino)phenyl]acetamide (PubChem CID 43737514) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-ethyl-2-[4-(octylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(octylamino)phenyl]acetamide
PubChem CID43737514
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-ethyl-2-[4-(octylamino)phenyl]acetamide
SMILESCCCCCCCCNc1ccc(CC(=O)NCC)cc1
InChIInChI=1S/C18H30N2O/c1-3-5-6-7-8-9-14-20-17-12-10-16(11-13-17)15-18(21)19-4-2/h10-13,20H,3-9,14-15H2,1-2H3,(H,19,21)
InChIKeyBPXVOELXRMVJIA-UHFFFAOYSA-N
XLogP4.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[4-(hexadecylamino)phenyl]acetyl]amino]acetic acid
CID 20525838
N-ethyl-4-(hexylamino)benzamide
CID 43728484
2-[4-(butylamino)phenyl]-N-methylacetamide
CID 43714159
N-ethyl-2-[4-(3-methylbutylamino)phenyl]acetamide
CID 43737544
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
N-ethyl-2-[4-[(3-methoxy-3-methylbutyl)amino]phenyl]acetamide
CID 102975694
1-octadecyl-3-[4-[[4-(octadecylamino)phenyl]methyl]phenyl]urea
CID 176858089
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
N-ethyl-2-[4-(prop-2-ynylamino)phenyl]acetamide
CID 63952885
N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54839527
2-[4-(pentadecylamino)phenyl]ethanol
CID 20525862

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(octylamino)phenyl]acetamide?
The IUPAC name of N-ethyl-2-[4-(octylamino)phenyl]acetamide (CID 43737514) is N-ethyl-2-[4-(octylamino)phenyl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(octylamino)phenyl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(octylamino)phenyl]acetamide is CCCCCCCCNc1ccc(CC(=O)NCC)cc1.
What is the InChIKey of N-ethyl-2-[4-(octylamino)phenyl]acetamide?
The InChIKey is BPXVOELXRMVJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-5-6-7-8-9-14-20-17-12-10-16(11-13-17)15-18(21)19-4-2/h10-13,20H,3-9,14-15H2,1-2H3,(H,19,21).
What are the key properties of N-ethyl-2-[4-(octylamino)phenyl]acetamide?
N-ethyl-2-[4-(octylamino)phenyl]acetamide has a molecular weight of 290.45 g/mol, XLogP of 4.14, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(octylamino)phenyl]acetamide is sourced from PubChem (CID 43737514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).