N-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide

C16H27N3OS — CID 106616083

IUPACN-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCN(CC(=O)N(C)Cc1cccs1)CC1CCCN1
InChIInChI=1S/C16H27N3OS/c1-3-9-19(11-14-6-4-8-17-14)13-16(20)18(2)12-15-7-5-10-21-15/h5,7,10,14,17H,3-4,6,8-9,11-13H2,1-2H3
InChIKeyVJYHBTQOBXNHQU-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.17
Rot. Bonds8

About N-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide

N-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 106616083) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID106616083
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCN(CC(=O)N(C)Cc1cccs1)CC1CCCN1
InChIInChI=1S/C16H27N3OS/c1-3-9-19(11-14-6-4-8-17-14)13-16(20)18(2)12-15-7-5-10-21-15/h5,7,10,14,17H,3-4,6,8-9,11-13H2,1-2H3
InChIKeyVJYHBTQOBXNHQU-UHFFFAOYSA-N
XLogP2.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-(cyclopenten-1-yl)-N-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615592
N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119267121
N-cyclopropyl-2-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119715466
N-ethyl-N-(piperidin-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 106626023
N-(2-methoxyethyl)-2-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 61365241
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide
CID 106617900
N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide
CID 64563589
2-[cyclobutyl(3-hydroxypropyl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 102848345
N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625496
2-[cyclohexyl(2-hydroxyethyl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 60694185
2-[cyclopropylmethyl(propyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 86910904
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615599

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide (CID 106616083) is N-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide is CCCN(CC(=O)N(C)Cc1cccs1)CC1CCCN1.
What is the InChIKey of N-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VJYHBTQOBXNHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-3-9-19(11-14-6-4-8-17-14)13-16(20)18(2)12-15-7-5-10-21-15/h5,7,10,14,17H,3-4,6,8-9,11-13H2,1-2H3.
What are the key properties of N-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
N-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 309.48 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 106616083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).