N-butyl-N-[3-(dimethylamino)propyl]-2-[4-ethyl-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]acetamide

C23H41N5O — CID 142121134

IUPACN-butyl-N-[3-(dimethylamino)propyl]-2-[4-ethyl-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]acetamide
SMILESCCCCN(CCCN(C)C)C(=O)CN1CC(CC)CC1CCc1ncccn1
InChIInChI=1S/C23H41N5O/c1-5-7-15-27(16-9-14-26(3)4)23(29)19-28-18-20(6-2)17-21(28)10-11-22-24-12-8-13-25-22/h8,12-13,20-21H,5-7,9-11,14-19H2,1-4H3
InChIKeyYETAQHAPOHQWCG-UHFFFAOYSA-N
MW403.62 g/mol
LogP3.09
Rot. Bonds13

About N-butyl-N-[3-(dimethylamino)propyl]-2-[4-ethyl-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]acetamide

N-butyl-N-[3-(dimethylamino)propyl]-2-[4-ethyl-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]acetamide (PubChem CID 142121134) has the molecular formula C23H41N5O and a molecular weight of 403.62 g/mol. Its IUPAC name is N-butyl-N-[3-(dimethylamino)propyl]-2-[4-ethyl-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-N-[3-(dimethylamino)propyl]-2-[4-ethyl-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]acetamide
PubChem CID142121134
Molecular FormulaC23H41N5O
Molecular Weight403.62 g/mol
Exact Mass403.33
IUPAC NameN-butyl-N-[3-(dimethylamino)propyl]-2-[4-ethyl-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]acetamide
SMILESCCCCN(CCCN(C)C)C(=O)CN1CC(CC)CC1CCc1ncccn1
InChIInChI=1S/C23H41N5O/c1-5-7-15-27(16-9-14-26(3)4)23(29)19-28-18-20(6-2)17-21(28)10-11-22-24-12-8-13-25-22/h8,12-13,20-21H,5-7,9-11,14-19H2,1-4H3
InChIKeyYETAQHAPOHQWCG-UHFFFAOYSA-N
XLogP3.09
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.62
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-[4-(dimethylamino)butyl]-2-[(2S,4S)-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-[3-(2-methoxyphenyl)propyl]pyrrolidin-1-yl]acetamide
CID 142120842
3-[butyl-[2-[(2S,3R,4S)-3-carboxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]acetyl]amino]propyl-trimethylazanium
CID 58848993
2-[(2S,4S)-4-(1,3-benzodioxol-5-yl)-2-[2-(4-methyl-3,4-dihydropyridin-6-yl)ethyl]pyrrolidin-1-yl]-N-butyl-N-[3-(dimethylamino)propyl]acetamide
CID 142121120
1-[2-[butyl-[4-(dimethylamino)butyl]amino]-2-oxoethyl]-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid
CID 22322854
N-butyl-2-[(2S,4S)-4-(2,3-dihydro-1-benzofuran-5-yl)-2-[2-(4-methyl-4,5-dihydropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 142120830
(2R,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-[butyl-[4-(dimethylamino)butyl]amino]-2-oxoethyl]-2-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid
CID 54087171
1-[2-[butyl-[3-(dimethylamino)propyl]amino]-2-oxoethyl]-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylic acid
CID 20830640
4-[butyl-[2-[3-carboxy-4-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]acetyl]amino]butyl-trimethylazanium
CID 20870529
N-butyl-2-[4-[(E,3E)-3-[(3Z)-3-ethylideneoxolan-2-ylidene]prop-1-enyl]-2-(2-pyridin-2-ylethyl)pyrrolidin-1-yl]-N-(3-hydroxypropyl)acetamide
CID 142121093
(2S,3R,4S)-1-[2-[butyl-[3-(dimethylamino)propyl]amino]-2-oxoethyl]-4-(7-methoxy-1,3-benzodioxol-5-yl)-2-[2-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 58848317
2-[(2S,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]-N-butyl-N-(2-methyl-1λ3-ioda-2-azacyclohepta-3,5,7-trien-4-yl)acetamide
CID 142121552
(2R,3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-[butyl-[4-(dimethylamino)butyl]amino]-2-oxoethyl]-2-[2-(1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 54205391

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[3-(dimethylamino)propyl]-2-[4-ethyl-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-butyl-N-[3-(dimethylamino)propyl]-2-[4-ethyl-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]acetamide (CID 142121134) is N-butyl-N-[3-(dimethylamino)propyl]-2-[4-ethyl-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-butyl-N-[3-(dimethylamino)propyl]-2-[4-ethyl-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-butyl-N-[3-(dimethylamino)propyl]-2-[4-ethyl-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]acetamide is CCCCN(CCCN(C)C)C(=O)CN1CC(CC)CC1CCc1ncccn1.
What is the InChIKey of N-butyl-N-[3-(dimethylamino)propyl]-2-[4-ethyl-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is YETAQHAPOHQWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N5O/c1-5-7-15-27(16-9-14-26(3)4)23(29)19-28-18-20(6-2)17-21(28)10-11-22-24-12-8-13-25-22/h8,12-13,20-21H,5-7,9-11,14-19H2,1-4H3.
What are the key properties of N-butyl-N-[3-(dimethylamino)propyl]-2-[4-ethyl-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]acetamide?
N-butyl-N-[3-(dimethylamino)propyl]-2-[4-ethyl-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 403.62 g/mol, XLogP of 3.09, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[3-(dimethylamino)propyl]-2-[4-ethyl-2-(2-pyrimidin-2-ylethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 142121134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).