N-(3-ethylphenyl)acetamide;N-propylbutan-1-amine

C17H30N2O — CID 70391748

IUPACN-(3-ethylphenyl)acetamide;N-propylbutan-1-amine
SMILESCCCCNCCC.CCc1cccc(NC(C)=O)c1
InChIInChI=1S/C10H13NO.C7H17N/c1-3-9-5-4-6-10(7-9)11-8(2)12;1-3-5-7-8-6-4-2/h4-7H,3H2,1-2H3,(H,11,12);8H,3-7H2,1-2H3
InChIKeyXGOJEMBTRBCNIE-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.99
Rot. Bonds7

About N-(3-ethylphenyl)acetamide;N-propylbutan-1-amine

N-(3-ethylphenyl)acetamide;N-propylbutan-1-amine (PubChem CID 70391748) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(3-ethylphenyl)acetamide;N-propylbutan-1-amine.

Molecular Properties

Compound NameN-(3-ethylphenyl)acetamide;N-propylbutan-1-amine
PubChem CID70391748
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-(3-ethylphenyl)acetamide;N-propylbutan-1-amine
SMILESCCCCNCCC.CCc1cccc(NC(C)=O)c1
InChIInChI=1S/C10H13NO.C7H17N/c1-3-9-5-4-6-10(7-9)11-8(2)12;1-3-5-7-8-6-4-2/h4-7H,3H2,1-2H3,(H,11,12);8H,3-7H2,1-2H3
InChIKeyXGOJEMBTRBCNIE-UHFFFAOYSA-N
XLogP3.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.99
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

(3-ethylphenyl)urea;N-propylbutan-1-amine
CID 70474371
N-(3-ethylphenyl)decanamide
CID 4053743
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
N-ethylbutan-1-amine;N-(3-ethylphenyl)-2-phenylmethoxyacetamide
CID 70392592
N-ethylbutan-1-amine;N-(3-ethylphenyl)formamide
CID 88630078
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
2-(propylamino)ethyl 3-acetamidobenzoate
CID 82532761
1-butyl-3-(3-ethylphenyl)-1-methylurea
CID 5202320
(4-acetamidophenyl) N-(3-ethylphenyl)carbamate
CID 3406901
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843
2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093856

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)acetamide;N-propylbutan-1-amine?
The IUPAC name of N-(3-ethylphenyl)acetamide;N-propylbutan-1-amine (CID 70391748) is N-(3-ethylphenyl)acetamide;N-propylbutan-1-amine.
What is the SMILES notation for N-(3-ethylphenyl)acetamide;N-propylbutan-1-amine?
The canonical SMILES for N-(3-ethylphenyl)acetamide;N-propylbutan-1-amine is CCCCNCCC.CCc1cccc(NC(C)=O)c1.
What is the InChIKey of N-(3-ethylphenyl)acetamide;N-propylbutan-1-amine?
The InChIKey is XGOJEMBTRBCNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C7H17N/c1-3-9-5-4-6-10(7-9)11-8(2)12;1-3-5-7-8-6-4-2/h4-7H,3H2,1-2H3,(H,11,12);8H,3-7H2,1-2H3.
What are the key properties of N-(3-ethylphenyl)acetamide;N-propylbutan-1-amine?
N-(3-ethylphenyl)acetamide;N-propylbutan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)acetamide;N-propylbutan-1-amine is sourced from PubChem (CID 70391748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).