N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide

C16H22N2O4 — CID 113062939

IUPACN-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide
SMILESCCCCC(=O)NCCN(C(C)=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H22N2O4/c1-3-4-5-16(20)17-8-9-18(12(2)19)13-6-7-14-15(10-13)22-11-21-14/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,20)
InChIKeyQHBMBNNSMPNEDZ-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.07
Rot. Bonds7

About N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide

N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide (PubChem CID 113062939) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide
PubChem CID113062939
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide
SMILESCCCCC(=O)NCCN(C(C)=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H22N2O4/c1-3-4-5-16(20)17-8-9-18(12(2)19)13-6-7-14-15(10-13)22-11-21-14/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,20)
InChIKeyQHBMBNNSMPNEDZ-UHFFFAOYSA-N
XLogP2.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide 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-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-methylphenyl)acetamide
CID 113062988
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide
CID 113063025
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide
CID 113178212
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113062967
ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate
CID 113062992
N-[4-[1,3-benzodioxol-5-yl(ethylcarbamoyl)amino]butyl]hexanamide
CID 42699730
3-[acetyl(1,3-benzodioxol-5-yl)amino]propanoic acid
CID 82320415
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide
CID 113062950
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-phenylacetamide
CID 113063051
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-methylbenzamide
CID 113062948
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113132842
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide
CID 113061483

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide?
The IUPAC name of N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide (CID 113062939) is N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide.
What is the SMILES notation for N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide?
The canonical SMILES for N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide is CCCCC(=O)NCCN(C(C)=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide?
The InChIKey is QHBMBNNSMPNEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-4-5-16(20)17-8-9-18(12(2)19)13-6-7-14-15(10-13)22-11-21-14/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,20).
What are the key properties of N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide?
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide has a molecular weight of 306.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide is sourced from PubChem (CID 113062939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).