1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide

C19H26N2O4 — CID 95146297

IUPAC1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CCCCC1
InChIInChI=1S/C19H26N2O4/c1-13(15-6-7-16-17(12-15)25-11-10-24-16)20-18(23)19(21-14(2)22)8-4-3-5-9-19/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyJUFGTGZCMJUWGR-ZDUSSCGKSA-N
MW346.43 g/mol
LogP2.47
Rot. Bonds4

About 1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide

1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 95146297) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID95146297
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CCCCC1
InChIInChI=1S/C19H26N2O4/c1-13(15-6-7-16-17(12-15)25-11-10-24-16)20-18(23)19(21-14(2)22)8-4-3-5-9-19/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyJUFGTGZCMJUWGR-ZDUSSCGKSA-N
XLogP2.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide
CID 119270835
1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 65463806
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]adamantane-1-carboxamide
CID 7462613
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methoxypropanamide
CID 115588112
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-1-methylsulfonylcyclopentane-1-carboxamide
CID 95309048
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 46451961
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea
CID 55473711
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethylbutanamide
CID 47111685
4-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 27839947
1-acetamido-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 55964151
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 92612308
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 46979727

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide (CID 95146297) is 1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide is CC(=O)NC1(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CCCCC1.
What is the InChIKey of 1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is JUFGTGZCMJUWGR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13(15-6-7-16-17(12-15)25-11-10-24-16)20-18(23)19(21-14(2)22)8-4-3-5-9-19/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,22)/t13-/m0/s1.
What are the key properties of 1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide?
1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 95146297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).