2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide

C14H23N3O — CID 43383798

IUPAC2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(C)Cc1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-4-9-16-14(18)11(2)17(3)10-12-5-7-13(15)8-6-12/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyOVZKBHUPMBTKEE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.62
Rot. Bonds6

About 2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide

2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide (PubChem CID 43383798) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide
PubChem CID43383798
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(C)Cc1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-4-9-16-14(18)11(2)17(3)10-12-5-7-13(15)8-6-12/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18)
InChIKeyOVZKBHUPMBTKEE-UHFFFAOYSA-N
XLogP1.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide
CID 43458316
2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide
CID 43458328
2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 43458331
2-[(4-aminophenyl)methyl-ethylamino]-N-butylpropanamide
CID 43458901
2-[(3-carbamothioylphenyl)methyl-methylamino]-N-propylpropanamide
CID 62966542
2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide
CID 43383877
2-[(4-aminophenyl)methyl-propan-2-ylamino]-N-ethylpropanamide
CID 43460140
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide
CID 133149261
1-[(4-aminophenyl)methyl]-3-butyl-1-methylurea
CID 43458216
4-[[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]methyl]benzoic acid
CID 60978207
2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide
CID 43461145
4-[[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]methyl]benzoic acid
CID 60978071

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide (CID 43383798) is 2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide is CCCNC(=O)C(C)N(C)Cc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide?
The InChIKey is OVZKBHUPMBTKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-9-16-14(18)11(2)17(3)10-12-5-7-13(15)8-6-12/h5-8,11H,4,9-10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide?
2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide has a molecular weight of 249.36 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide is sourced from PubChem (CID 43383798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).