N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-(oxolan-2-yl)propanamide

C20H27NO5 — CID 47874897

IUPACN-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NCC1(c2ccc3c(c2)OCO3)CCOCC1
InChIInChI=1S/C20H27NO5/c22-19(6-4-16-2-1-9-24-16)21-13-20(7-10-23-11-8-20)15-3-5-17-18(12-15)26-14-25-17/h3,5,12,16H,1-2,4,6-11,13-14H2,(H,21,22)
InChIKeySYCAVMGXSZRRLD-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.54
Rot. Bonds6

About N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-(oxolan-2-yl)propanamide

N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-(oxolan-2-yl)propanamide (PubChem CID 47874897) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-(oxolan-2-yl)propanamide
PubChem CID47874897
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC NameN-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NCC1(c2ccc3c(c2)OCO3)CCOCC1
InChIInChI=1S/C20H27NO5/c22-19(6-4-16-2-1-9-24-16)21-13-20(7-10-23-11-8-20)15-3-5-17-18(12-15)26-14-25-17/h3,5,12,16H,1-2,4,6-11,13-14H2,(H,21,22)
InChIKeySYCAVMGXSZRRLD-UHFFFAOYSA-N
XLogP2.54
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]propanamide
CID 119303789
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-N',N'-diethylpentanediamide
CID 56522025
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]azepane-1-carboxamide
CID 47873460
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-4-methylpiperidine-1-carboxamide
CID 47873402
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3,5-dimethylbenzamide
CID 47873937
1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119303810
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2-ethylbutanamide
CID 47873986
2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide
CID 119303765
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 60586891
4-(aminomethyl)-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119303800
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119303787
1-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-[(2-tert-butyloxan-3-yl)methyl]-2-methylguanidine
CID 111623430

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-(oxolan-2-yl)propanamide (CID 47874897) is N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)NCC1(c2ccc3c(c2)OCO3)CCOCC1.
What is the InChIKey of N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is SYCAVMGXSZRRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5/c22-19(6-4-16-2-1-9-24-16)21-13-20(7-10-23-11-8-20)15-3-5-17-18(12-15)26-14-25-17/h3,5,12,16H,1-2,4,6-11,13-14H2,(H,21,22).
What are the key properties of N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-(oxolan-2-yl)propanamide?
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 361.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 47874897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).