N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide

C20H33N5O2 — CID 42756110

IUPACN-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
SMILESCCN(CC)CCNC(=O)c1cc(NC(=O)N(C)C)ccc1N1CCCC1
InChIInChI=1S/C20H33N5O2/c1-5-24(6-2)14-11-21-19(26)17-15-16(22-20(27)23(3)4)9-10-18(17)25-12-7-8-13-25/h9-10,15H,5-8,11-14H2,1-4H3,(H,21,26)(H,22,27)
InChIKeyFWHLGARWEMRFPN-UHFFFAOYSA-N
MW375.52 g/mol
LogP2.45
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide

N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide (PubChem CID 42756110) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
PubChem CID42756110
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC NameN-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
SMILESCCN(CC)CCNC(=O)c1cc(NC(=O)N(C)C)ccc1N1CCCC1
InChIInChI=1S/C20H33N5O2/c1-5-24(6-2)14-11-21-19(26)17-15-16(22-20(27)23(3)4)9-10-18(17)25-12-7-8-13-25/h9-10,15H,5-8,11-14H2,1-4H3,(H,21,26)(H,22,27)
InChIKeyFWHLGARWEMRFPN-UHFFFAOYSA-N
XLogP2.45
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide
CID 42755610
5-(cyclopropanecarbonylamino)-N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 42756085
N-[2-(diethylamino)ethyl]-5-(3,3-dimethylbutanoylamino)-2-piperidin-1-ylbenzamide
CID 4538451
5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 42660921
5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42756162
N-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide
CID 42755679
N-[3-[2-(diethylamino)ethylcarbamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
CID 42756086
N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42756099
N-[2-(diethylamino)ethyl]-5-[(4-ethoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3323472
N-[2-(diethylamino)ethyl]-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42756097
N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 42755681
N-[(2S)-butan-2-yl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
CID 771510

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide (CID 42756110) is N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide is CCN(CC)CCNC(=O)c1cc(NC(=O)N(C)C)ccc1N1CCCC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is FWHLGARWEMRFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-5-24(6-2)14-11-21-19(26)17-15-16(22-20(27)23(3)4)9-10-18(17)25-12-7-8-13-25/h9-10,15H,5-8,11-14H2,1-4H3,(H,21,26)(H,22,27).
What are the key properties of N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide?
N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 375.52 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42756110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).