bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane

C20H44N4O2 — CID 162144356

IUPACbis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
SMILESC.C.CCN1CCC(CNC(C)=O)C1.CCN1CCC(CNC(C)=O)C1
InChIInChI=1S/2C9H18N2O.2CH4/c2*1-3-11-5-4-9(7-11)6-10-8(2)12;;/h2*9H,3-7H2,1-2H3,(H,10,12);2*1H4
InChIKeyZKIULYUOFSKFIE-UHFFFAOYSA-N
MW372.60 g/mol
LogP2.20
Rot. Bonds6

About bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane

bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane (PubChem CID 162144356) has the molecular formula C20H44N4O2 and a molecular weight of 372.60 g/mol. Its IUPAC name is bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane.

Molecular Properties

Compound Namebis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
PubChem CID162144356
Molecular FormulaC20H44N4O2
Molecular Weight372.60 g/mol
Exact Mass372.35
IUPAC Namebis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
SMILESC.C.CCN1CCC(CNC(C)=O)C1.CCN1CCC(CNC(C)=O)C1
InChIInChI=1S/2C9H18N2O.2CH4/c2*1-3-11-5-4-9(7-11)6-10-8(2)12;;/h2*9H,3-7H2,1-2H3,(H,10,12);2*1H4
InChIKeyZKIULYUOFSKFIE-UHFFFAOYSA-N
XLogP2.20
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide
CID 79809539
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797123
3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanamide
CID 63680576
2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide
CID 60856052
1-(1-ethylpyrrolidin-3-yl)propan-2-one
CID 91527917
3-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 62851851
2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
CID 63613060
2-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60862754
N'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide
CID 60857032
1-(cyclopropylmethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine
CID 111867320

Frequently Asked Questions

What is the IUPAC name of bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane?
The IUPAC name of bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane (CID 162144356) is bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane.
What is the SMILES notation for bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane?
The canonical SMILES for bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane is C.C.CCN1CCC(CNC(C)=O)C1.CCN1CCC(CNC(C)=O)C1.
What is the InChIKey of bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane?
The InChIKey is ZKIULYUOFSKFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2O.2CH4/c2*1-3-11-5-4-9(7-11)6-10-8(2)12;;/h2*9H,3-7H2,1-2H3,(H,10,12);2*1H4.
What are the key properties of bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane?
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane has a molecular weight of 372.60 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane is sourced from PubChem (CID 162144356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).