N-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide

C17H33N3O — CID 63299179

IUPACN-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)N(C(C)C)C1CCCCC1)C1CCNC1
InChIInChI=1S/C17H33N3O/c1-4-19(16-10-11-18-12-16)13-17(21)20(14(2)3)15-8-6-5-7-9-15/h14-16,18H,4-13H2,1-3H3
InChIKeyAPKXEHLLFWWMSL-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.24
Rot. Bonds6

About N-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide

N-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide (PubChem CID 63299179) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide
PubChem CID63299179
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)N(C(C)C)C1CCCCC1)C1CCNC1
InChIInChI=1S/C17H33N3O/c1-4-19(16-10-11-18-12-16)13-17(21)20(14(2)3)15-8-6-5-7-9-15/h14-16,18H,4-13H2,1-3H3
InChIKeyAPKXEHLLFWWMSL-UHFFFAOYSA-N
XLogP2.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azetidin-3-yl(propyl)amino]-N-cyclohexyl-N-propan-2-ylacetamide
CID 66215693
N-butan-2-yl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300316
ethyl 2-[ethyl(pyrrolidin-3-yl)amino]acetate
CID 63300317
N-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide
CID 63299759
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide
CID 63300371
2-chloro-N-cyclopentyl-N-propan-2-ylacetamide
CID 54592476
N-cyclohexyl-N-ethyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119923071
piperidin-3-yl(propan-2-yl)carbamic acid
CID 68784521
[(3R)-piperidin-3-yl]-propan-2-ylcarbamic acid
CID 66860335
2-[ethyl(pyrrolidin-3-yl)amino]-N-(6-methylheptan-2-yl)acetamide
CID 63299866
2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide
CID 103983310

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of N-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide (CID 63299179) is N-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide is CCN(CC(=O)N(C(C)C)C1CCCCC1)C1CCNC1.
What is the InChIKey of N-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is APKXEHLLFWWMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-19(16-10-11-18-12-16)13-17(21)20(14(2)3)15-8-6-5-7-9-15/h14-16,18H,4-13H2,1-3H3.
What are the key properties of N-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide?
N-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 295.47 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 63299179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).