N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide

C17H28N2O — CID 119505694

IUPACN-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide
SMILESCCNCCNC(=O)CC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-5-18-10-11-19-17(20)12-14(4)16-8-6-15(7-9-16)13(2)3/h6-9,13-14,18H,5,10-12H2,1-4H3,(H,19,20)
InChIKeyYFTGJBPCBSZCCE-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.03
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide

N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide (PubChem CID 119505694) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide
PubChem CID119505694
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide
SMILESCCNCCNC(=O)CC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-5-18-10-11-19-17(20)12-14(4)16-8-6-15(7-9-16)13(2)3/h6-9,13-14,18H,5,10-12H2,1-4H3,(H,19,20)
InChIKeyYFTGJBPCBSZCCE-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.03
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

N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 119509353
N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119506390
N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide
CID 119508296
3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 104502416
N-[2-(ethylamino)ethyl]-3,3-diphenylpropanamide;hydrochloride
CID 119508377
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]butanamide
CID 113420011
N-(4-aminobutyl)-3-(4-aminophenyl)butanamide
CID 104502429
3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 119508593
ethyl 3-[3-(4-aminophenyl)butanoylamino]propanoate
CID 104502527
3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide
CID 107317608
N-[(1,1-dioxothietan-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide
CID 126829423
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide (CID 119505694) is N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide is CCNCCNC(=O)CC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide?
The InChIKey is YFTGJBPCBSZCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-18-10-11-19-17(20)12-14(4)16-8-6-15(7-9-16)13(2)3/h6-9,13-14,18H,5,10-12H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide?
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide has a molecular weight of 276.42 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 119505694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).