3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide

C14H21N3O3 — CID 107873513

IUPAC3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide
SMILESCCC(C)NC(=O)C(C)Oc1c(N)cccc1C(N)=O
InChIInChI=1S/C14H21N3O3/c1-4-8(2)17-14(19)9(3)20-12-10(13(16)18)6-5-7-11(12)15/h5-9H,4,15H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyAYOWZNCDFKGHKY-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.05
Rot. Bonds6

About 3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide

3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 107873513) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound Name3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide
PubChem CID107873513
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide
SMILESCCC(C)NC(=O)C(C)Oc1c(N)cccc1C(N)=O
InChIInChI=1S/C14H21N3O3/c1-4-8(2)17-14(19)9(3)20-12-10(13(16)18)6-5-7-11(12)15/h5-9H,4,15H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyAYOWZNCDFKGHKY-UHFFFAOYSA-N
XLogP1.05
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(1-carboxyethoxy)benzoic acid
CID 107077529
3-amino-2-(1-cyanopropoxy)benzamide
CID 107873452
2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide
CID 43381867
2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide
CID 43174613
2-[2-(2-aminopropyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
CID 61392424
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
CID 61391965
(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 9179566
2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide
CID 43379290
N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
CID 17151271
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762
2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide
CID 62304828

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of 3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide (CID 107873513) is 3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for 3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for 3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide is CCC(C)NC(=O)C(C)Oc1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is AYOWZNCDFKGHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-8(2)17-14(19)9(3)20-12-10(13(16)18)6-5-7-11(12)15/h5-9H,4,15H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of 3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide?
3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 107873513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).