N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide

C15H24N2O — CID 43384017

IUPACN-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)CC(=O)N(Cc1ccc(N)cc1)C(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)9-15(18)17(12(3)4)10-13-5-7-14(16)8-6-13/h5-8,11-12H,9-10,16H2,1-4H3
InChIKeyXLWDCHZFHIKQLH-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.05
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide

N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide (PubChem CID 43384017) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
PubChem CID43384017
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)CC(=O)N(Cc1ccc(N)cc1)C(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)9-15(18)17(12(3)4)10-13-5-7-14(16)8-6-13/h5-8,11-12H,9-10,16H2,1-4H3
InChIKeyXLWDCHZFHIKQLH-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
CID 43460059
N-[(2-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384061
tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
CID 23506958
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
N-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide
CID 43460030
N-[(4-aminophenyl)methyl]-4-methyl-N-propan-2-ylthiophene-3-carboxamide
CID 79802131
3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide
CID 92930297
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
2-[(4-aminophenyl)methyl-propan-2-ylamino]-N-(2-methylpropyl)acetamide
CID 43460081
3-[(4-aminophenyl)methyl-(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid
CID 70484235
N-[(4-aminophenyl)methyl]-5-bromo-N-propan-2-ylthiophene-3-carboxamide
CID 107959329
2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 39353233

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide (CID 43384017) is N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide is CC(C)CC(=O)N(Cc1ccc(N)cc1)C(C)C.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide?
The InChIKey is XLWDCHZFHIKQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)9-15(18)17(12(3)4)10-13-5-7-14(16)8-6-13/h5-8,11-12H,9-10,16H2,1-4H3.
What are the key properties of N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide?
N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 43384017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).