N-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

C16H26N2OS — CID 106974977

IUPACN-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)N(Cc2cccs2)C(C)C)CCCN1
InChIInChI=1S/C16H26N2OS/c1-4-8-16(9-6-10-17-16)15(19)18(13(2)3)12-14-7-5-11-20-14/h5,7,11,13,17H,4,6,8-10,12H2,1-3H3
InChIKeyDAKXEVWNXJYQGQ-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.41
Rot. Bonds6

About N-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

N-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 106974977) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID106974977
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)N(Cc2cccs2)C(C)C)CCCN1
InChIInChI=1S/C16H26N2OS/c1-4-8-16(9-6-10-17-16)15(19)18(13(2)3)12-14-7-5-11-20-14/h5,7,11,13,17H,4,6,8-10,12H2,1-3H3
InChIKeyDAKXEVWNXJYQGQ-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-N,2-dipropylpyrrolidine-2-carboxamide
CID 106974202
3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 63135259
N-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide
CID 106974762
1-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclopentane-1-carboxamide
CID 76921031
4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 115294700
N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709337
2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine
CID 66467169
N,2-dimethyl-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 113368557
N,N-bis(2-methylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974292
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
N-[(2-methylpiperidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 104594909

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 106974977) is N-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is CCCC1(C(=O)N(Cc2cccs2)C(C)C)CCCN1.
What is the InChIKey of N-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is DAKXEVWNXJYQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-8-16(9-6-10-17-16)15(19)18(13(2)3)12-14-7-5-11-20-14/h5,7,11,13,17H,4,6,8-10,12H2,1-3H3.
What are the key properties of N-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
N-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 294.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-propyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 106974977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).