N-[4-amino-4-(3-methylphenyl)butyl]acetamide

C13H20N2O — CID 163883737

IUPACN-[4-amino-4-(3-methylphenyl)butyl]acetamide
SMILESCC(=O)NCCCC(N)c1cccc(C)c1
InChIInChI=1S/C13H20N2O/c1-10-5-3-6-12(9-10)13(14)7-4-8-15-11(2)16/h3,5-6,9,13H,4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyPVNWHJJJVOSQAD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.91
Rot. Bonds5

About N-[4-amino-4-(3-methylphenyl)butyl]acetamide

N-[4-amino-4-(3-methylphenyl)butyl]acetamide (PubChem CID 163883737) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[4-amino-4-(3-methylphenyl)butyl]acetamide.

Molecular Properties

Compound NameN-[4-amino-4-(3-methylphenyl)butyl]acetamide
PubChem CID163883737
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[4-amino-4-(3-methylphenyl)butyl]acetamide
SMILESCC(=O)NCCCC(N)c1cccc(C)c1
InChIInChI=1S/C13H20N2O/c1-10-5-3-6-12(9-10)13(14)7-4-8-15-11(2)16/h3,5-6,9,13H,4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyPVNWHJJJVOSQAD-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
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

(4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride
CID 171209897
(1S)-1-(3-methylphenyl)butane-1,4-diamine
CID 171229474
(1R)-1-(3-methylphenyl)pentane-1,5-diamine
CID 171209871
ethane;methyl 3-amino-3-(3-methylphenyl)propanoate
CID 143672007
(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209882
N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide
CID 20567171
N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide
CID 89324001
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090
(1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209890
N'-methyl-1-(3-methylphenyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 62628722
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
ethyl (2R)-2-amino-2-(3-methylphenyl)acetate
CID 93311210

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-4-(3-methylphenyl)butyl]acetamide?
The IUPAC name of N-[4-amino-4-(3-methylphenyl)butyl]acetamide (CID 163883737) is N-[4-amino-4-(3-methylphenyl)butyl]acetamide.
What is the SMILES notation for N-[4-amino-4-(3-methylphenyl)butyl]acetamide?
The canonical SMILES for N-[4-amino-4-(3-methylphenyl)butyl]acetamide is CC(=O)NCCCC(N)c1cccc(C)c1.
What is the InChIKey of N-[4-amino-4-(3-methylphenyl)butyl]acetamide?
The InChIKey is PVNWHJJJVOSQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-5-3-6-12(9-10)13(14)7-4-8-15-11(2)16/h3,5-6,9,13H,4,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of N-[4-amino-4-(3-methylphenyl)butyl]acetamide?
N-[4-amino-4-(3-methylphenyl)butyl]acetamide has a molecular weight of 220.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-4-(3-methylphenyl)butyl]acetamide is sourced from PubChem (CID 163883737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).