2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide

C17H28N2O — CID 43508040

IUPAC2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide
SMILESCCCNC(C)c1ccccc1NC(=O)C(CC)CC
InChIInChI=1S/C17H28N2O/c1-5-12-18-13(4)15-10-8-9-11-16(15)19-17(20)14(6-2)7-3/h8-11,13-14,18H,5-7,12H2,1-4H3,(H,19,20)
InChIKeyRZPPMCPKWTZBCL-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.12
Rot. Bonds8

About 2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide

2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide (PubChem CID 43508040) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide
PubChem CID43508040
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide
SMILESCCCNC(C)c1ccccc1NC(=O)C(CC)CC
InChIInChI=1S/C17H28N2O/c1-5-12-18-13(4)15-10-8-9-11-16(15)19-17(20)14(6-2)7-3/h8-11,13-14,18H,5-7,12H2,1-4H3,(H,19,20)
InChIKeyRZPPMCPKWTZBCL-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea
CID 79154849
2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide
CID 104517879
2-cyclopropyl-N-[2-[1-(propylamino)ethyl]phenyl]acetamide
CID 55031756
2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507938
3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea
CID 79154848
N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide
CID 63010645
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
2-(2-ethylbutanoylamino)benzamide
CID 1214109
N-[2-(1-chloroethyl)phenyl]-2-methylbutanamide
CID 114304941
2-ethyl-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]butanamide
CID 24707294
N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 54818713
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[2-(dimethylamino)ethylamino]propanamide
CID 8019165

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide (CID 43508040) is 2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide is CCCNC(C)c1ccccc1NC(=O)C(CC)CC.
What is the InChIKey of 2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide?
The InChIKey is RZPPMCPKWTZBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-12-18-13(4)15-10-8-9-11-16(15)19-17(20)14(6-2)7-3/h8-11,13-14,18H,5-7,12H2,1-4H3,(H,19,20).
What are the key properties of 2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide?
2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide has a molecular weight of 276.42 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide is sourced from PubChem (CID 43508040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).