3-[1-(4-tert-butylphenyl)ethylamino]butanamide

C16H26N2O — CID 115676438

IUPAC3-[1-(4-tert-butylphenyl)ethylamino]butanamide
SMILESCC(CC(N)=O)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-11(10-15(17)19)18-12(2)13-6-8-14(9-7-13)16(3,4)5/h6-9,11-12,18H,10H2,1-5H3,(H2,17,19)
InChIKeyRNDDTEFXFLDONO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.90
Rot. Bonds5

About 3-[1-(4-tert-butylphenyl)ethylamino]butanamide

3-[1-(4-tert-butylphenyl)ethylamino]butanamide (PubChem CID 115676438) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[1-(4-tert-butylphenyl)ethylamino]butanamide.

Molecular Properties

Compound Name3-[1-(4-tert-butylphenyl)ethylamino]butanamide
PubChem CID115676438
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[1-(4-tert-butylphenyl)ethylamino]butanamide
SMILESCC(CC(N)=O)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-11(10-15(17)19)18-12(2)13-6-8-14(9-7-13)16(3,4)5/h6-9,11-12,18H,10H2,1-5H3,(H2,17,19)
InChIKeyRNDDTEFXFLDONO-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-ethylphenyl)ethylamino]butanamide
CID 71902063
(3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 96528244
3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]butanamide
CID 115879477
N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine
CID 104537779
methyl 2-[1-(4-tert-butylphenyl)ethylamino]butanoate
CID 115320207
N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191865
3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide
CID 115676401
3-(4-tert-butylphenyl)-3-(propylamino)propanamide
CID 65236000
ethyl 3-[[(1S)-1-(4-methylphenyl)ethyl]amino]butanoate
CID 81356889
3-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63868252
3-(1-pyridin-2-ylethylamino)butanamide
CID 115572776
3-[1-(5-ethylfuran-2-yl)ethylamino]butanamide
CID 115867806

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-tert-butylphenyl)ethylamino]butanamide?
The IUPAC name of 3-[1-(4-tert-butylphenyl)ethylamino]butanamide (CID 115676438) is 3-[1-(4-tert-butylphenyl)ethylamino]butanamide.
What is the SMILES notation for 3-[1-(4-tert-butylphenyl)ethylamino]butanamide?
The canonical SMILES for 3-[1-(4-tert-butylphenyl)ethylamino]butanamide is CC(CC(N)=O)NC(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-[1-(4-tert-butylphenyl)ethylamino]butanamide?
The InChIKey is RNDDTEFXFLDONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(10-15(17)19)18-12(2)13-6-8-14(9-7-13)16(3,4)5/h6-9,11-12,18H,10H2,1-5H3,(H2,17,19).
What are the key properties of 3-[1-(4-tert-butylphenyl)ethylamino]butanamide?
3-[1-(4-tert-butylphenyl)ethylamino]butanamide has a molecular weight of 262.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-tert-butylphenyl)ethylamino]butanamide is sourced from PubChem (CID 115676438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).