N-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide

C16H27N3OS — CID 106614772

IUPACN-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide
SMILESCC(C)N(CC(=O)N(C)Cc1ccsc1)CC1CCCN1
InChIInChI=1S/C16H27N3OS/c1-13(2)19(10-15-5-4-7-17-15)11-16(20)18(3)9-14-6-8-21-12-14/h6,8,12-13,15,17H,4-5,7,9-11H2,1-3H3
InChIKeyASOBLESARXJCDM-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.17
Rot. Bonds7

About N-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide

N-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 106614772) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide
PubChem CID106614772
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide
SMILESCC(C)N(CC(=O)N(C)Cc1ccsc1)CC1CCCN1
InChIInChI=1S/C16H27N3OS/c1-13(2)19(10-15-5-4-7-17-15)11-16(20)18(3)9-14-6-8-21-12-14/h6,8,12-13,15,17H,4-5,7,9-11H2,1-3H3
InChIKeyASOBLESARXJCDM-UHFFFAOYSA-N
XLogP2.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-thiophen-3-ylacetamide
CID 106626703
N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 97164135
2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 104979626
N,3-dimethyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide
CID 107067215
2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 66186907
2-[propan-2-yl-[[(2R)-pyrrolidin-2-yl]methyl]amino]acetamide
CID 102819407
N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 62273221
N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide
CID 106612363
2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 79121413
N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603195
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282
N-(4-fluorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614350

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide (CID 106614772) is N-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide is CC(C)N(CC(=O)N(C)Cc1ccsc1)CC1CCCN1.
What is the InChIKey of N-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is ASOBLESARXJCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-13(2)19(10-15-5-4-7-17-15)11-16(20)18(3)9-14-6-8-21-12-14/h6,8,12-13,15,17H,4-5,7,9-11H2,1-3H3.
What are the key properties of N-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide?
N-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 309.48 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 106614772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).