N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide

C16H23NO3 — CID 4668559

IUPACN,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H23NO3/c1-11(2)8-17(9-12(3)4)16(18)13-5-6-14-15(7-13)20-10-19-14/h5-7,11-12H,8-10H2,1-4H3
InChIKeyKGWPCGRQSBHBOW-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.17
Rot. Bonds5

About N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide

N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 4668559) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
PubChem CID4668559
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H23NO3/c1-11(2)8-17(9-12(3)4)16(18)13-5-6-14-15(7-13)20-10-19-14/h5-7,11-12H,8-10H2,1-4H3
InChIKeyKGWPCGRQSBHBOW-UHFFFAOYSA-N
XLogP3.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059631
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
N-(3-amino-2-methylpropyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 54992436
N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059626
N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 42767770
1-(1,3-benzodioxol-5-yl)-4-methylpentane-1,3-dione
CID 63319607
N-(chloromethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 10331338
2-[1,3-benzodioxole-5-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802773
N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 95625359
1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61429193
N-(1-ethylsulfonylpropan-2-yl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 56805506
N,N-bis(2-methylpropyl)benzo[f][1,3]benzodioxole-5-carboxamide
CID 90681775

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide (CID 4668559) is N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide is CC(C)CN(CC(C)C)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is KGWPCGRQSBHBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)8-17(9-12(3)4)16(18)13-5-6-14-15(7-13)20-10-19-14/h5-7,11-12H,8-10H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 4668559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).