2,2-dimethyl-1-(2,3,4,6-tetraamino-5-propanoylphenyl)propan-1-one

C14H22N4O2 — CID 163415268

IUPAC2,2-dimethyl-1-(2,3,4,6-tetraamino-5-propanoylphenyl)propan-1-one
SMILESCCC(=O)c1c(N)c(N)c(N)c(C(=O)C(C)(C)C)c1N
InChIInChI=1S/C14H22N4O2/c1-5-6(19)7-9(15)8(13(20)14(2,3)4)11(17)12(18)10(7)16/h5,15-18H2,1-4H3
InChIKeyADVZJDLTLCZCIP-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.84
Rot. Bonds3

About 2,2-dimethyl-1-(2,3,4,6-tetraamino-5-propanoylphenyl)propan-1-one

2,2-dimethyl-1-(2,3,4,6-tetraamino-5-propanoylphenyl)propan-1-one (PubChem CID 163415268) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2,3,4,6-tetraamino-5-propanoylphenyl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2,3,4,6-tetraamino-5-propanoylphenyl)propan-1-one
PubChem CID163415268
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2,2-dimethyl-1-(2,3,4,6-tetraamino-5-propanoylphenyl)propan-1-one
SMILESCCC(=O)c1c(N)c(N)c(N)c(C(=O)C(C)(C)C)c1N
InChIInChI=1S/C14H22N4O2/c1-5-6(19)7-9(15)8(13(20)14(2,3)4)11(17)12(18)10(7)16/h5,15-18H2,1-4H3
InChIKeyADVZJDLTLCZCIP-UHFFFAOYSA-N
XLogP1.84
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-dimethylpropanoyl)-5-propanoylterephthalic acid
CID 70908358
1-[3,4-diamino-5-(2,2-dimethylpropanoyl)thieno[2,3-b]thiophen-2-yl]-2,2-dimethylpropan-1-one
CID 2805164
1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one
CID 65354690
4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide
CID 103424451
1-(2,3,4,5,6-pentafluorophenyl)propan-1-one
CID 23263422
butan-2-one;bis(2,2-dimethylpropane)
CID 162008029
1-(2-amino-6-fluorophenyl)propan-1-one
CID 14773127
4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide
CID 106296533
1-(5-aminofuran-2-yl)-2,2-dimethylpropan-1-one
CID 82374124
1-(2-amino-4-tert-butylphenyl)propan-1-one
CID 23265761
1-[4-[(3,4-diamino-2-propanoylphenyl)diazenyl]-2,6-dimethylphenyl]propan-1-one
CID 54075662
1-(4-aminophenyl)propan-1-one
CID 6270

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2,3,4,6-tetraamino-5-propanoylphenyl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2,3,4,6-tetraamino-5-propanoylphenyl)propan-1-one (CID 163415268) is 2,2-dimethyl-1-(2,3,4,6-tetraamino-5-propanoylphenyl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2,3,4,6-tetraamino-5-propanoylphenyl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2,3,4,6-tetraamino-5-propanoylphenyl)propan-1-one is CCC(=O)c1c(N)c(N)c(N)c(C(=O)C(C)(C)C)c1N.
What is the InChIKey of 2,2-dimethyl-1-(2,3,4,6-tetraamino-5-propanoylphenyl)propan-1-one?
The InChIKey is ADVZJDLTLCZCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-5-6(19)7-9(15)8(13(20)14(2,3)4)11(17)12(18)10(7)16/h5,15-18H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(2,3,4,6-tetraamino-5-propanoylphenyl)propan-1-one?
2,2-dimethyl-1-(2,3,4,6-tetraamino-5-propanoylphenyl)propan-1-one has a molecular weight of 278.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2,3,4,6-tetraamino-5-propanoylphenyl)propan-1-one is sourced from PubChem (CID 163415268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).