N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide

C14H22N2O — CID 43683753

IUPACN-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
SMILESCCC(C)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-5-11(4)15-12-6-8-13(9-7-12)16-14(17)10(2)3/h6-11,15H,5H2,1-4H3,(H,16,17)
InChIKeyRKYMGCQGHIJACO-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.49
Rot. Bonds5

About N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide

N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide (PubChem CID 43683753) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
PubChem CID43683753
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
SMILESCCC(C)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-5-11(4)15-12-6-8-13(9-7-12)16-14(17)10(2)3/h6-11,15H,5H2,1-4H3,(H,16,17)
InChIKeyRKYMGCQGHIJACO-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide
CID 43683718
N-[4-(butan-2-ylamino)phenyl]butanamide
CID 112980445
1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
CID 112980502
N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide
CID 42926088
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079
2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea
CID 112980511
N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide
CID 112980500
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
trifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide
CID 75176087
2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537703

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide (CID 43683753) is N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide is CCC(C)Nc1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide?
The InChIKey is RKYMGCQGHIJACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-11(4)15-12-6-8-13(9-7-12)16-14(17)10(2)3/h6-11,15H,5H2,1-4H3,(H,16,17).
What are the key properties of N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide?
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide is sourced from PubChem (CID 43683753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).