2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide

C16H22N2O3 — CID 119303765

IUPAC2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide
SMILESNCC(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1
InChIInChI=1S/C16H22N2O3/c17-9-15(19)18-10-16(6-2-1-3-7-16)12-4-5-13-14(8-12)21-11-20-13/h4-5,8H,1-3,6-7,9-11,17H2,(H,18,19)
InChIKeyBLOMMRXQPGJSFQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.69
Rot. Bonds4

About 2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide

2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide (PubChem CID 119303765) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide
PubChem CID119303765
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide
SMILESNCC(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1
InChIInChI=1S/C16H22N2O3/c17-9-15(19)18-10-16(6-2-1-3-7-16)12-4-5-13-14(8-12)21-11-20-13/h4-5,8H,1-3,6-7,9-11,17H2,(H,18,19)
InChIKeyBLOMMRXQPGJSFQ-UHFFFAOYSA-N
XLogP1.69
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide
CID 119749608
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119749613
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-2-(4-nitrophenyl)acetamide
CID 60578104
3-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]propanamide
CID 119303789
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 60578282
1-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119303810
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 119275374
2-(aminomethyl)-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide
CID 119749630
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 119275364
1-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-propan-2-ylthiourea
CID 71885970
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-methylbutanamide
CID 51283138
2-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methylcarbamoylamino]-N-ethylpropanamide
CID 71886526

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide (CID 119303765) is 2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide is NCC(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1.
What is the InChIKey of 2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide?
The InChIKey is BLOMMRXQPGJSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-9-15(19)18-10-16(6-2-1-3-7-16)12-4-5-13-14(8-12)21-11-20-13/h4-5,8H,1-3,6-7,9-11,17H2,(H,18,19).
What are the key properties of 2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide?
2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide has a molecular weight of 290.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 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)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 119303765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).