2-[4-(butylamino)phenyl]-N-methylacetamide

C13H20N2O — CID 43714159

IUPAC2-[4-(butylamino)phenyl]-N-methylacetamide
SMILESCCCCNc1ccc(CC(=O)NC)cc1
InChIInChI=1S/C13H20N2O/c1-3-4-9-15-12-7-5-11(6-8-12)10-13(16)14-2/h5-8,15H,3-4,9-10H2,1-2H3,(H,14,16)
InChIKeyVRZUFNCZCRTQCB-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.19
Rot. Bonds6

About 2-[4-(butylamino)phenyl]-N-methylacetamide

2-[4-(butylamino)phenyl]-N-methylacetamide (PubChem CID 43714159) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[4-(butylamino)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(butylamino)phenyl]-N-methylacetamide
PubChem CID43714159
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[4-(butylamino)phenyl]-N-methylacetamide
SMILESCCCCNc1ccc(CC(=O)NC)cc1
InChIInChI=1S/C13H20N2O/c1-3-4-9-15-12-7-5-11(6-8-12)10-13(16)14-2/h5-8,15H,3-4,9-10H2,1-2H3,(H,14,16)
InChIKeyVRZUFNCZCRTQCB-UHFFFAOYSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.19
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-ethyl-2-[4-(octylamino)phenyl]acetamide
CID 43737514
1-[4-(butylamino)phenyl]-3-methylurea
CID 43744434
2-[[2-[4-(hexadecylamino)phenyl]acetyl]amino]acetic acid
CID 20525838
2-(4-ethylphenyl)-N-methylacetamide
CID 56921087
N-methyl-2-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 43713951
methyl 3-[4-(butylamino)phenyl]propanoate
CID 71061016
N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 113023990
[4-(butylamino)phenyl]methyl 2,2-dimethylpropanoate
CID 146908653
N-[4-(butylamino)phenyl]-2-(3-fluorophenyl)acetamide
CID 112980257
2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 62347331
4-(4-iodoanilino)-N-methylbutanamide
CID 63891617
1-octadecyl-3-[4-[[4-(octadecylamino)phenyl]methyl]phenyl]urea
CID 176858089

Frequently Asked Questions

What is the IUPAC name of 2-[4-(butylamino)phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-(butylamino)phenyl]-N-methylacetamide (CID 43714159) is 2-[4-(butylamino)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(butylamino)phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(butylamino)phenyl]-N-methylacetamide is CCCCNc1ccc(CC(=O)NC)cc1.
What is the InChIKey of 2-[4-(butylamino)phenyl]-N-methylacetamide?
The InChIKey is VRZUFNCZCRTQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-4-9-15-12-7-5-11(6-8-12)10-13(16)14-2/h5-8,15H,3-4,9-10H2,1-2H3,(H,14,16).
What are the key properties of 2-[4-(butylamino)phenyl]-N-methylacetamide?
2-[4-(butylamino)phenyl]-N-methylacetamide has a molecular weight of 220.32 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(butylamino)phenyl]-N-methylacetamide is sourced from PubChem (CID 43714159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).