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

C16H26N2O — CID 119509353

IUPACN-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCCNCCNC(=O)CCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-4-17-11-12-18-16(19)10-7-14-5-8-15(9-6-14)13(2)3/h5-6,8-9,13,17H,4,7,10-12H2,1-3H3,(H,18,19)
InChIKeyJEQBFWZHDPQYTG-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.47
Rot. Bonds8

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

N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 119509353) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide
PubChem CID119509353
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCCNCCNC(=O)CCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-4-17-11-12-18-16(19)10-7-14-5-8-15(9-6-14)13(2)3/h5-6,8-9,13,17H,4,7,10-12H2,1-3H3,(H,18,19)
InChIKeyJEQBFWZHDPQYTG-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.47
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)butanamide
CID 119505694
N-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride
CID 119506160
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606
N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 55806046
2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide
CID 55974318
3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 47098552
4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 94689915
3-[4-(4-propan-2-ylphenyl)butanoylamino]propanoic acid
CID 82224317
N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136
2,2-dimethyl-3-[3-(4-propan-2-ylphenyl)propanoylamino]propanoic acid
CID 119250000
3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119322586
N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 155949549

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide (CID 119509353) is N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide is CCNCCNC(=O)CCc1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is JEQBFWZHDPQYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-17-11-12-18-16(19)10-7-14-5-8-15(9-6-14)13(2)3/h5-6,8-9,13,17H,4,7,10-12H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide?
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.47, 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)propanamide is sourced from PubChem (CID 119509353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).