1-[(propanoylamino)-[2-[(3-trimethylstannylcyclohexyl)carbamoyloxy]propyl]amino]propan-2-yl N-cyclohexylcarbamate

C26H50N4O5Sn — CID 70601054

IUPAC1-[(propanoylamino)-[2-[(3-trimethylstannylcyclohexyl)carbamoyloxy]propyl]amino]propan-2-yl N-cyclohexylcarbamate
SMILESCCC(=O)NN(CC(C)OC(=O)NC1CCCCC1)CC(C)OC(=O)NC1CCCC([Sn](C)(C)C)C1
InChIInChI=1S/C23H41N4O5.3CH3.Sn/c1-4-21(28)26-27(15-17(2)31-22(29)24-19-11-7-5-8-12-19)16-18(3)32-23(30)25-20-13-9-6-10-14-20;;;;/h7,17-20H,4-6,8-16H2,1-3H3,(H,24,29)(H,25,30)(H,26,28);3*1H3;
InChIKeyLWSGNHJUEQJCSC-UHFFFAOYSA-N
MW617.42 g/mol
LogP4.94
Rot. Bonds11

About 1-[(propanoylamino)-[2-[(3-trimethylstannylcyclohexyl)carbamoyloxy]propyl]amino]propan-2-yl N-cyclohexylcarbamate

1-[(propanoylamino)-[2-[(3-trimethylstannylcyclohexyl)carbamoyloxy]propyl]amino]propan-2-yl N-cyclohexylcarbamate (PubChem CID 70601054) has the molecular formula C26H50N4O5Sn and a molecular weight of 617.42 g/mol. Its IUPAC name is 1-[(propanoylamino)-[2-[(3-trimethylstannylcyclohexyl)carbamoyloxy]propyl]amino]propan-2-yl N-cyclohexylcarbamate.

Molecular Properties

Compound Name1-[(propanoylamino)-[2-[(3-trimethylstannylcyclohexyl)carbamoyloxy]propyl]amino]propan-2-yl N-cyclohexylcarbamate
PubChem CID70601054
Molecular FormulaC26H50N4O5Sn
Molecular Weight617.42 g/mol
Exact Mass618.28
IUPAC Name1-[(propanoylamino)-[2-[(3-trimethylstannylcyclohexyl)carbamoyloxy]propyl]amino]propan-2-yl N-cyclohexylcarbamate
SMILESCCC(=O)NN(CC(C)OC(=O)NC1CCCCC1)CC(C)OC(=O)NC1CCCC([Sn](C)(C)C)C1
InChIInChI=1S/C23H41N4O5.3CH3.Sn/c1-4-21(28)26-27(15-17(2)31-22(29)24-19-11-7-5-8-12-19)16-18(3)32-23(30)25-20-13-9-6-10-14-20;;;;/h7,17-20H,4-6,8-16H2,1-3H3,(H,24,29)(H,25,30)(H,26,28);3*1H3;
InChIKeyLWSGNHJUEQJCSC-UHFFFAOYSA-N
XLogP4.94
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.42
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(propanoylamino)-3-(3-trimethylstannylcyclohexyl)thiourea
CID 88790723
1-bromopropan-2-yl N-cyclohexylcarbamate
CID 103970804
propan-2-yl N-cyclooctylcarbamate
CID 116653938
N-cyclododecylpropanamide
CID 2784600
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
propan-2-ylcarbamoyl N-cyclohexylcarbamate
CID 154236264
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
3-methylbutyl N-cyclohexylcarbamate
CID 86243713
N'-butan-2-yl-N-cycloheptylpropanediamide
CID 108941808
3-(propan-2-yloxycarbonylamino)cyclohexane-1-carboxylic acid
CID 63044385
methyl N-cyclohexadecylcarbamate
CID 131977131

Frequently Asked Questions

What is the IUPAC name of 1-[(propanoylamino)-[2-[(3-trimethylstannylcyclohexyl)carbamoyloxy]propyl]amino]propan-2-yl N-cyclohexylcarbamate?
The IUPAC name of 1-[(propanoylamino)-[2-[(3-trimethylstannylcyclohexyl)carbamoyloxy]propyl]amino]propan-2-yl N-cyclohexylcarbamate (CID 70601054) is 1-[(propanoylamino)-[2-[(3-trimethylstannylcyclohexyl)carbamoyloxy]propyl]amino]propan-2-yl N-cyclohexylcarbamate.
What is the SMILES notation for 1-[(propanoylamino)-[2-[(3-trimethylstannylcyclohexyl)carbamoyloxy]propyl]amino]propan-2-yl N-cyclohexylcarbamate?
The canonical SMILES for 1-[(propanoylamino)-[2-[(3-trimethylstannylcyclohexyl)carbamoyloxy]propyl]amino]propan-2-yl N-cyclohexylcarbamate is CCC(=O)NN(CC(C)OC(=O)NC1CCCCC1)CC(C)OC(=O)NC1CCCC([Sn](C)(C)C)C1.
What is the InChIKey of 1-[(propanoylamino)-[2-[(3-trimethylstannylcyclohexyl)carbamoyloxy]propyl]amino]propan-2-yl N-cyclohexylcarbamate?
The InChIKey is LWSGNHJUEQJCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N4O5.3CH3.Sn/c1-4-21(28)26-27(15-17(2)31-22(29)24-19-11-7-5-8-12-19)16-18(3)32-23(30)25-20-13-9-6-10-14-20;;;;/h7,17-20H,4-6,8-16H2,1-3H3,(H,24,29)(H,25,30)(H,26,28);3*1H3;.
What are the key properties of 1-[(propanoylamino)-[2-[(3-trimethylstannylcyclohexyl)carbamoyloxy]propyl]amino]propan-2-yl N-cyclohexylcarbamate?
1-[(propanoylamino)-[2-[(3-trimethylstannylcyclohexyl)carbamoyloxy]propyl]amino]propan-2-yl N-cyclohexylcarbamate has a molecular weight of 617.42 g/mol, XLogP of 4.94, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(propanoylamino)-[2-[(3-trimethylstannylcyclohexyl)carbamoyloxy]propyl]amino]propan-2-yl N-cyclohexylcarbamate is sourced from PubChem (CID 70601054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).