2-[2-[5-(dimethylcarbamoyl)pyrrolidin-2-yl]ethyl-propan-2-ylamino]ethyl formate

C15H29N3O3 — CID 176601875

IUPAC2-[2-[5-(dimethylcarbamoyl)pyrrolidin-2-yl]ethyl-propan-2-ylamino]ethyl formate
SMILESCC(C)N(CCOC=O)CCC1CCC(C(=O)N(C)C)N1
InChIInChI=1S/C15H29N3O3/c1-12(2)18(9-10-21-11-19)8-7-13-5-6-14(16-13)15(20)17(3)4/h11-14,16H,5-10H2,1-4H3
InChIKeyJHRUDVCHSZXBMH-UHFFFAOYSA-N
MW299.42 g/mol
LogP0.47
Rot. Bonds9

About 2-[2-[5-(dimethylcarbamoyl)pyrrolidin-2-yl]ethyl-propan-2-ylamino]ethyl formate

2-[2-[5-(dimethylcarbamoyl)pyrrolidin-2-yl]ethyl-propan-2-ylamino]ethyl formate (PubChem CID 176601875) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[2-[5-(dimethylcarbamoyl)pyrrolidin-2-yl]ethyl-propan-2-ylamino]ethyl formate.

Molecular Properties

Compound Name2-[2-[5-(dimethylcarbamoyl)pyrrolidin-2-yl]ethyl-propan-2-ylamino]ethyl formate
PubChem CID176601875
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-[2-[5-(dimethylcarbamoyl)pyrrolidin-2-yl]ethyl-propan-2-ylamino]ethyl formate
SMILESCC(C)N(CCOC=O)CCC1CCC(C(=O)N(C)C)N1
InChIInChI=1S/C15H29N3O3/c1-12(2)18(9-10-21-11-19)8-7-13-5-6-14(16-13)15(20)17(3)4/h11-14,16H,5-10H2,1-4H3
InChIKeyJHRUDVCHSZXBMH-UHFFFAOYSA-N
XLogP0.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[5-(dimethylcarbamoyl)pyrrolidin-2-yl]ethyl-propan-2-ylamino]ethyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 5-[2-[formyloxymethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxylate
CID 176601470
trimethyl-[2-[propan-2-yl-[2-(5-propan-2-yloxycarbonylpyrrolidin-2-yl)ethyl]amino]ethyl]azanium
CID 176601276
propan-2-yl 5-[[formyloxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate
CID 176601139
N-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 82949166
5-(3-methoxypropyl)pyrrolidine-2-carboxylic acid
CID 112574893
trimethyl-[2-[propan-2-yl-[(5-propan-2-yloxycarbonylpyrrolidin-2-yl)methyl]amino]ethyl]azanium
CID 176601097
5-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-N-methylpyrrolidine-2-carboxamide
CID 176601096
ethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate
CID 82941282
5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid
CID 112574811
N-propan-2-yl-N-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469565
[(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate
CID 176601662
5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102688859

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(dimethylcarbamoyl)pyrrolidin-2-yl]ethyl-propan-2-ylamino]ethyl formate?
The IUPAC name of 2-[2-[5-(dimethylcarbamoyl)pyrrolidin-2-yl]ethyl-propan-2-ylamino]ethyl formate (CID 176601875) is 2-[2-[5-(dimethylcarbamoyl)pyrrolidin-2-yl]ethyl-propan-2-ylamino]ethyl formate.
What is the SMILES notation for 2-[2-[5-(dimethylcarbamoyl)pyrrolidin-2-yl]ethyl-propan-2-ylamino]ethyl formate?
The canonical SMILES for 2-[2-[5-(dimethylcarbamoyl)pyrrolidin-2-yl]ethyl-propan-2-ylamino]ethyl formate is CC(C)N(CCOC=O)CCC1CCC(C(=O)N(C)C)N1.
What is the InChIKey of 2-[2-[5-(dimethylcarbamoyl)pyrrolidin-2-yl]ethyl-propan-2-ylamino]ethyl formate?
The InChIKey is JHRUDVCHSZXBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-12(2)18(9-10-21-11-19)8-7-13-5-6-14(16-13)15(20)17(3)4/h11-14,16H,5-10H2,1-4H3.
What are the key properties of 2-[2-[5-(dimethylcarbamoyl)pyrrolidin-2-yl]ethyl-propan-2-ylamino]ethyl formate?
2-[2-[5-(dimethylcarbamoyl)pyrrolidin-2-yl]ethyl-propan-2-ylamino]ethyl formate has a molecular weight of 299.42 g/mol, XLogP of 0.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(dimethylcarbamoyl)pyrrolidin-2-yl]ethyl-propan-2-ylamino]ethyl formate is sourced from PubChem (CID 176601875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).