N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-carboxamide

C19H29N3O3 — CID 138006464

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-carboxamide
SMILESCCC(NC(=O)N1CCCNC(C)(C)C1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H29N3O3/c1-4-15(14-6-7-16-17(12-14)25-11-10-24-16)21-18(23)22-9-5-8-20-19(2,3)13-22/h6-7,12,15,20H,4-5,8-11,13H2,1-3H3,(H,21,23)
InChIKeyHZUALWXDBYOEOB-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.69
Rot. Bonds3

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-carboxamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-carboxamide (PubChem CID 138006464) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-carboxamide
PubChem CID138006464
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-carboxamide
SMILESCCC(NC(=O)N1CCCNC(C)(C)C1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H29N3O3/c1-4-15(14-6-7-16-17(12-14)25-11-10-24-16)21-18(23)22-9-5-8-20-19(2,3)13-22/h6-7,12,15,20H,4-5,8-11,13H2,1-3H3,(H,21,23)
InChIKeyHZUALWXDBYOEOB-UHFFFAOYSA-N
XLogP2.69
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-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-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 93070562
2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]-2-oxoacetic acid
CID 99784112
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine-3-carboxamide
CID 119742450
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperidine-3-carboxamide;hydrochloride
CID 119299785
N-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 126447223
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,2-diphenylacetamide
CID 60538414
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 102554840
4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide
CID 119299788
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane
CID 64940361
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55982395
4-acetamido-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]benzamide
CID 60538347
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-carboxamide (CID 138006464) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-carboxamide is CCC(NC(=O)N1CCCNC(C)(C)C1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-carboxamide?
The InChIKey is HZUALWXDBYOEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-15(14-6-7-16-17(12-14)25-11-10-24-16)21-18(23)22-9-5-8-20-19(2,3)13-22/h6-7,12,15,20H,4-5,8-11,13H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-carboxamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 138006464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).