5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide

C19H30N4O3 — CID 42756162

IUPAC5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)N(C)C)ccc1N1CCCC1
InChIInChI=1S/C19H30N4O3/c1-4-26-13-7-10-20-18(24)16-14-15(21-19(25)22(2)3)8-9-17(16)23-11-5-6-12-23/h8-9,14H,4-7,10-13H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyODFLRVBLVONGCO-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.54
Rot. Bonds8

About 5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide

5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 42756162) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID42756162
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)N(C)C)ccc1N1CCCC1
InChIInChI=1S/C19H30N4O3/c1-4-26-13-7-10-20-18(24)16-14-15(21-19(25)22(2)3)8-9-17(16)23-11-5-6-12-23/h8-9,14H,4-7,10-13H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyODFLRVBLVONGCO-UHFFFAOYSA-N
XLogP2.54
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylpiperidin-1-yl)-5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)benzamide
CID 4297190
5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide
CID 42755610
5-[(3,4-dimethylphenyl)carbamoylamino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3268817
N-(3-ethoxypropyl)-5-[(2-methoxyacetyl)amino]-2-piperidin-1-ylbenzamide
CID 3313832
N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5037032
5-[(3-chloro-2,2-dimethylpropanoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3579642
N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 3291960
5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42756154
5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide
CID 42660675
5-[(3-chloro-4-methylphenyl)carbamoylamino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide
CID 3895731
N-[2-(diethylamino)ethyl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42756110
N-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
CID 3992320

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide (CID 42756162) is 5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide is CCOCCCNC(=O)c1cc(NC(=O)N(C)C)ccc1N1CCCC1.
What is the InChIKey of 5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is ODFLRVBLVONGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-4-26-13-7-10-20-18(24)16-14-15(21-19(25)22(2)3)8-9-17(16)23-11-5-6-12-23/h8-9,14H,4-7,10-13H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of 5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide?
5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 362.47 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42756162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).