5-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpentanamide

C13H17ClN2O3 — CID 104683888

IUPAC5-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1cc2c(cc1Cl)OCO2
InChIInChI=1S/C13H17ClN2O3/c1-8(3-2-4-15)13(17)16-10-6-12-11(5-9(10)14)18-7-19-12/h5-6,8H,2-4,7,15H2,1H3,(H,16,17)
InChIKeyCTGJWOZEJFCRJA-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.38
Rot. Bonds5

About 5-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpentanamide

5-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpentanamide (PubChem CID 104683888) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 5-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpentanamide
PubChem CID104683888
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name5-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1cc2c(cc1Cl)OCO2
InChIInChI=1S/C13H17ClN2O3/c1-8(3-2-4-15)13(17)16-10-6-12-11(5-9(10)14)18-7-19-12/h5-6,8H,2-4,7,15H2,1H3,(H,16,17)
InChIKeyCTGJWOZEJFCRJA-UHFFFAOYSA-N
XLogP2.38
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylbutanamide
CID 80543534
3-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropanamide
CID 55105178
2-(aminomethyl)-N-(6-chloro-1,3-benzodioxol-5-yl)butanamide
CID 65224990
3-[(6-chloro-1,3-benzodioxol-5-yl)amino]-2-methyl-3-oxopropanoic acid
CID 114897911
1-[(2R)-butan-2-yl]-3-(6-chloro-1,3-benzodioxol-5-yl)urea
CID 51928180
3-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 104683767
4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide
CID 104727116
5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
CID 113441065
(2S)-2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexanamide
CID 103831144
5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide
CID 104685005
2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 104683758
5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide
CID 104683435

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpentanamide?
The IUPAC name of 5-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpentanamide (CID 104683888) is 5-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpentanamide?
The canonical SMILES for 5-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpentanamide is CC(CCCN)C(=O)Nc1cc2c(cc1Cl)OCO2.
What is the InChIKey of 5-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpentanamide?
The InChIKey is CTGJWOZEJFCRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-8(3-2-4-15)13(17)16-10-6-12-11(5-9(10)14)18-7-19-12/h5-6,8H,2-4,7,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpentanamide?
5-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpentanamide has a molecular weight of 284.74 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpentanamide is sourced from PubChem (CID 104683888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).