2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,4-dimethylpentanamide

C17H26N2O3 — CID 169286663

IUPAC2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,4-dimethylpentanamide
SMILESCC(C)CC(N)C(=O)N(C)C(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C17H26N2O3/c1-11(2)7-14(18)17(20)19(4)12(3)8-13-5-6-15-16(9-13)22-10-21-15/h5-6,9,11-12,14H,7-8,10,18H2,1-4H3
InChIKeyVXTUSBGFBVPCPM-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.18
Rot. Bonds6

About 2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,4-dimethylpentanamide

2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,4-dimethylpentanamide (PubChem CID 169286663) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,4-dimethylpentanamide
PubChem CID169286663
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,4-dimethylpentanamide
SMILESCC(C)CC(N)C(=O)N(C)C(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C17H26N2O3/c1-11(2)7-14(18)17(20)19(4)12(3)8-13-5-6-15-16(9-13)22-10-21-15/h5-6,9,11-12,14H,7-8,10,18H2,1-4H3
InChIKeyVXTUSBGFBVPCPM-UHFFFAOYSA-N
XLogP2.18
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylbutanamide
CID 170289986
(3S)-3-amino-4-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylamino]-4-oxobutanoic acid
CID 167310185
2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methyl-4-methylsulfanylbutanamide
CID 74694907
(2S)-2-amino-N-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methyl-4-methylsulfanylbutanamide
CID 40543883
(2S)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpentanamide;hydrochloride
CID 119690339
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,2,2-trimethylpropanamide
CID 166468601
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-3-hydroxy-N-methylpropanamide
CID 166468308
1-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylcarbamoyl]oxyethyl 2-amino-3-hydroxypropanoate
CID 166468376
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,4-dimethylpentanamide
CID 60938296
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylcarbamoyl]oxymethyl 2-(dimethylamino)acetate
CID 166468611
2-morpholin-4-ylethyl N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylcarbamate
CID 166468394

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,4-dimethylpentanamide?
The IUPAC name of 2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,4-dimethylpentanamide (CID 169286663) is 2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,4-dimethylpentanamide?
The canonical SMILES for 2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,4-dimethylpentanamide is CC(C)CC(N)C(=O)N(C)C(C)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,4-dimethylpentanamide?
The InChIKey is VXTUSBGFBVPCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11(2)7-14(18)17(20)19(4)12(3)8-13-5-6-15-16(9-13)22-10-21-15/h5-6,9,11-12,14H,7-8,10,18H2,1-4H3.
What are the key properties of 2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,4-dimethylpentanamide?
2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,4-dimethylpentanamide has a molecular weight of 306.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,4-dimethylpentanamide is sourced from PubChem (CID 169286663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).