4-[(4-propan-2-ylphenyl)methylamino]butanamide

C14H22N2O — CID 60863561

IUPAC4-[(4-propan-2-ylphenyl)methylamino]butanamide
SMILESCC(C)c1ccc(CNCCCC(N)=O)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)13-7-5-12(6-8-13)10-16-9-3-4-14(15)17/h5-8,11,16H,3-4,9-10H2,1-2H3,(H2,15,17)
InChIKeyUVWPFQZGZAMVBA-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.17
Rot. Bonds7

About 4-[(4-propan-2-ylphenyl)methylamino]butanamide

4-[(4-propan-2-ylphenyl)methylamino]butanamide (PubChem CID 60863561) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[(4-propan-2-ylphenyl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(4-propan-2-ylphenyl)methylamino]butanamide
PubChem CID60863561
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[(4-propan-2-ylphenyl)methylamino]butanamide
SMILESCC(C)c1ccc(CNCCCC(N)=O)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)13-7-5-12(6-8-13)10-16-9-3-4-14(15)17/h5-8,11,16H,3-4,9-10H2,1-2H3,(H2,15,17)
InChIKeyUVWPFQZGZAMVBA-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.17
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

methyl 4-[(4-propan-2-ylphenyl)methylamino]butanoate
CID 54917794
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
4-[(4-bromophenyl)methylamino]butanamide
CID 60865006
ethane;3-(4-propan-2-ylphenyl)propanamide
CID 142410323
4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
CID 60658050
N'-[3-[(4-propan-2-ylphenyl)methylamino]propyl]butane-1,4-diamine
CID 58965144
4-[(4-ethoxyphenyl)methylamino]butanamide
CID 60863018
4-iodo-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 106844555
N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17331857
5-[(4-hydroxyphenyl)methylamino]pentanamide
CID 106233275
4-chloro-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 106122009
4-[(4-nitrophenyl)methylamino]butanamide
CID 60865200

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylphenyl)methylamino]butanamide?
The IUPAC name of 4-[(4-propan-2-ylphenyl)methylamino]butanamide (CID 60863561) is 4-[(4-propan-2-ylphenyl)methylamino]butanamide.
What is the SMILES notation for 4-[(4-propan-2-ylphenyl)methylamino]butanamide?
The canonical SMILES for 4-[(4-propan-2-ylphenyl)methylamino]butanamide is CC(C)c1ccc(CNCCCC(N)=O)cc1.
What is the InChIKey of 4-[(4-propan-2-ylphenyl)methylamino]butanamide?
The InChIKey is UVWPFQZGZAMVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)13-7-5-12(6-8-13)10-16-9-3-4-14(15)17/h5-8,11,16H,3-4,9-10H2,1-2H3,(H2,15,17).
What are the key properties of 4-[(4-propan-2-ylphenyl)methylamino]butanamide?
4-[(4-propan-2-ylphenyl)methylamino]butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylphenyl)methylamino]butanamide is sourced from PubChem (CID 60863561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).