N-[(4-aminophenyl)methyl]-2-methylpentanamide

C13H20N2O — CID 60891259

IUPACN-[(4-aminophenyl)methyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NCc1ccc(N)cc1
InChIInChI=1S/C13H20N2O/c1-3-4-10(2)13(16)15-9-11-5-7-12(14)8-6-11/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeySSLUMSFGXPVBRA-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.32
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-2-methylpentanamide

N-[(4-aminophenyl)methyl]-2-methylpentanamide (PubChem CID 60891259) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2-methylpentanamide
PubChem CID60891259
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[(4-aminophenyl)methyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NCc1ccc(N)cc1
InChIInChI=1S/C13H20N2O/c1-3-4-10(2)13(16)15-9-11-5-7-12(14)8-6-11/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeySSLUMSFGXPVBRA-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
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

N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide
CID 61218501
2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide
CID 23876903
(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 107569508
4-[4-[(2-methylpentanoylamino)methyl]phenoxy]butanoic acid
CID 119247320
6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide
CID 65291164
N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 119547405
N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide
CID 82984622
4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide
CID 80542537
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
(2S)-2-amino-N-[(4-aminophenyl)methyl]-4-methylsulfanylbutanamide
CID 23598003
2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid
CID 82257201
3-chloro-N-[(4-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114331641

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-methylpentanamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2-methylpentanamide (CID 60891259) is N-[(4-aminophenyl)methyl]-2-methylpentanamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-methylpentanamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2-methylpentanamide is CCCC(C)C(=O)NCc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2-methylpentanamide?
The InChIKey is SSLUMSFGXPVBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-4-10(2)13(16)15-9-11-5-7-12(14)8-6-11/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16).
What are the key properties of N-[(4-aminophenyl)methyl]-2-methylpentanamide?
N-[(4-aminophenyl)methyl]-2-methylpentanamide has a molecular weight of 220.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2-methylpentanamide is sourced from PubChem (CID 60891259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).