N-cyclohexyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-propan-2-ylacetamide

C17H33N3O — CID 106613703

IUPACN-cyclohexyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN(C)CC1CCCN1)C1CCCCC1
InChIInChI=1S/C17H33N3O/c1-14(2)20(16-9-5-4-6-10-16)17(21)13-19(3)12-15-8-7-11-18-15/h14-16,18H,4-13H2,1-3H3
InChIKeyYXIPYXNFZSGQQH-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.24
Rot. Bonds6

About N-cyclohexyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-propan-2-ylacetamide

N-cyclohexyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-propan-2-ylacetamide (PubChem CID 106613703) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-propan-2-ylacetamide
PubChem CID106613703
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-cyclohexyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN(C)CC1CCCN1)C1CCCCC1
InChIInChI=1S/C17H33N3O/c1-14(2)20(16-9-5-4-6-10-16)17(21)13-19(3)12-15-8-7-11-18-15/h14-16,18H,4-13H2,1-3H3
InChIKeyYXIPYXNFZSGQQH-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

N-cyclopropyl-N-propan-2-yl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119728069
N-ethyl-N-methyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614264
N-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614235
N-butan-2-yl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614096
N-cyclopropyl-2-[methyl-[2-[methyl(pyrrolidin-2-ylmethyl)amino]acetyl]amino]acetamide
CID 106614156
N-cycloheptyl-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370216
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613965
N-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide
CID 63299179
2-[propan-2-yl-[[(2R)-pyrrolidin-2-yl]methyl]amino]acetamide
CID 102819407
2-cyclohexyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626347
N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide
CID 20752266
2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635281

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of N-cyclohexyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-propan-2-ylacetamide (CID 106613703) is N-cyclohexyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-propan-2-ylacetamide is CC(C)N(C(=O)CN(C)CC1CCCN1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-propan-2-ylacetamide?
The InChIKey is YXIPYXNFZSGQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-14(2)20(16-9-5-4-6-10-16)17(21)13-19(3)12-15-8-7-11-18-15/h14-16,18H,4-13H2,1-3H3.
What are the key properties of N-cyclohexyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-propan-2-ylacetamide?
N-cyclohexyl-2-[methyl(pyrrolidin-2-ylmethyl)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-[methyl(pyrrolidin-2-ylmethyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 106613703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).