2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide

C16H27N3O — CID 61486374

IUPAC2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCN(CC(=O)NC(C)(C)CC)Cc1cccc(N)c1
InChIInChI=1S/C16H27N3O/c1-5-16(3,4)18-15(20)12-19(6-2)11-13-8-7-9-14(17)10-13/h7-10H,5-6,11-12,17H2,1-4H3,(H,18,20)
InChIKeyPRNZNWFJRVYEMU-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.40
Rot. Bonds7

About 2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide

2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 61486374) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide
PubChem CID61486374
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCN(CC(=O)NC(C)(C)CC)Cc1cccc(N)c1
InChIInChI=1S/C16H27N3O/c1-5-16(3,4)18-15(20)12-19(6-2)11-13-8-7-9-14(17)10-13/h7-10H,5-6,11-12,17H2,1-4H3,(H,18,20)
InChIKeyPRNZNWFJRVYEMU-UHFFFAOYSA-N
XLogP2.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-aminophenyl)methyl-propylamino]-N-tert-butylacetamide
CID 43459726
2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43459091
N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 78791266
2-[(3-aminophenyl)methyl-propylamino]-N-methylacetamide
CID 43459714
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80695577
2-[(3-aminophenyl)methyl-propan-2-ylamino]-N-tert-butylacetamide
CID 43460254
2-[(3-aminophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 21460485
2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43461235
N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 51200030
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
CID 43461228
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459084
N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride
CID 119522718

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide (CID 61486374) is 2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide is CCN(CC(=O)NC(C)(C)CC)Cc1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is PRNZNWFJRVYEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-16(3,4)18-15(20)12-19(6-2)11-13-8-7-9-14(17)10-13/h7-10H,5-6,11-12,17H2,1-4H3,(H,18,20).
What are the key properties of 2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide?
2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 61486374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).