4-[(2-amino-2-methylpropyl)amino]-N,N-diethyl-3-hydroxybenzamide

C15H25N3O2 — CID 57183116

IUPAC4-[(2-amino-2-methylpropyl)amino]-N,N-diethyl-3-hydroxybenzamide
SMILESCCN(CC)C(=O)c1ccc(NCC(C)(C)N)c(O)c1
InChIInChI=1S/C15H25N3O2/c1-5-18(6-2)14(20)11-7-8-12(13(19)9-11)17-10-15(3,4)16/h7-9,17,19H,5-6,10,16H2,1-4H3
InChIKeyGIHSIOUZGUIYKG-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.02
Rot. Bonds6

About 4-[(2-amino-2-methylpropyl)amino]-N,N-diethyl-3-hydroxybenzamide

4-[(2-amino-2-methylpropyl)amino]-N,N-diethyl-3-hydroxybenzamide (PubChem CID 57183116) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[(2-amino-2-methylpropyl)amino]-N,N-diethyl-3-hydroxybenzamide.

Molecular Properties

Compound Name4-[(2-amino-2-methylpropyl)amino]-N,N-diethyl-3-hydroxybenzamide
PubChem CID57183116
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-[(2-amino-2-methylpropyl)amino]-N,N-diethyl-3-hydroxybenzamide
SMILESCCN(CC)C(=O)c1ccc(NCC(C)(C)N)c(O)c1
InChIInChI=1S/C15H25N3O2/c1-5-18(6-2)14(20)11-7-8-12(13(19)9-11)17-10-15(3,4)16/h7-9,17,19H,5-6,10,16H2,1-4H3
InChIKeyGIHSIOUZGUIYKG-UHFFFAOYSA-N
XLogP2.02
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-amino-2-methylpropyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119629402
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-hydroxybenzamide
CID 79668244
N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63213833
N-ethyl-4-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-3-methylbenzamide
CID 79386429
3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide
CID 22181353
N,N-diethyl-5-hydroxynaphthalene-2-carboxamide
CID 172677597
4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
CID 79792462
methyl 4-(diethylcarbamoylamino)-3-hydroxybenzoate
CID 108744866
N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 104627951
4-[[butyl(ethyl)carbamoyl]amino]-3-hydroxybenzoic acid
CID 61186414
ethyl 3-[4-(diethylcarbamoyl)-2-nitroanilino]propanoate
CID 22181355
4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684141

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-methylpropyl)amino]-N,N-diethyl-3-hydroxybenzamide?
The IUPAC name of 4-[(2-amino-2-methylpropyl)amino]-N,N-diethyl-3-hydroxybenzamide (CID 57183116) is 4-[(2-amino-2-methylpropyl)amino]-N,N-diethyl-3-hydroxybenzamide.
What is the SMILES notation for 4-[(2-amino-2-methylpropyl)amino]-N,N-diethyl-3-hydroxybenzamide?
The canonical SMILES for 4-[(2-amino-2-methylpropyl)amino]-N,N-diethyl-3-hydroxybenzamide is CCN(CC)C(=O)c1ccc(NCC(C)(C)N)c(O)c1.
What is the InChIKey of 4-[(2-amino-2-methylpropyl)amino]-N,N-diethyl-3-hydroxybenzamide?
The InChIKey is GIHSIOUZGUIYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-18(6-2)14(20)11-7-8-12(13(19)9-11)17-10-15(3,4)16/h7-9,17,19H,5-6,10,16H2,1-4H3.
What are the key properties of 4-[(2-amino-2-methylpropyl)amino]-N,N-diethyl-3-hydroxybenzamide?
4-[(2-amino-2-methylpropyl)amino]-N,N-diethyl-3-hydroxybenzamide has a molecular weight of 279.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-methylpropyl)amino]-N,N-diethyl-3-hydroxybenzamide is sourced from PubChem (CID 57183116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).