N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride

C15H29ClN4O3 — CID 119532735

IUPACN-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
SMILESCCCN(C(=O)CCC(=O)NCCNC(C)=O)C1CCNC1.Cl
InChIInChI=1S/C15H28N4O3.ClH/c1-3-10-19(13-6-7-16-11-13)15(22)5-4-14(21)18-9-8-17-12(2)20;/h13,16H,3-11H2,1-2H3,(H,17,20)(H,18,21);1H
InChIKeyHNOUYIGRLVRYPY-UHFFFAOYSA-N
MW348.88 g/mol
LogP0.04
Rot. Bonds9

About N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride

N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride (PubChem CID 119532735) has the molecular formula C15H29ClN4O3 and a molecular weight of 348.88 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
PubChem CID119532735
Molecular FormulaC15H29ClN4O3
Molecular Weight348.88 g/mol
Exact Mass348.19
IUPAC NameN-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
SMILESCCCN(C(=O)CCC(=O)NCCNC(C)=O)C1CCNC1.Cl
InChIInChI=1S/C15H28N4O3.ClH/c1-3-10-19(13-6-7-16-11-13)15(22)5-4-14(21)18-9-8-17-12(2)20;/h13,16H,3-11H2,1-2H3,(H,17,20)(H,18,21);1H
InChIKeyHNOUYIGRLVRYPY-UHFFFAOYSA-N
XLogP0.04
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride 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

N'-methyl-N-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
CID 119553575
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301776
N'-propyl-N'-pyrrolidin-3-ylpropanediamide
CID 119533204
3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride
CID 119531548
4-cyclopentyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119533250
4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride
CID 119532455
3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532426
5-methoxy-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119531804
3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530419
3-(5-methyloxolan-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119531932
N-[2-[piperidin-4-yl(propyl)amino]ethyl]acetamide
CID 60807684

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride?
The IUPAC name of N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride (CID 119532735) is N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride.
What is the SMILES notation for N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride?
The canonical SMILES for N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride is CCCN(C(=O)CCC(=O)NCCNC(C)=O)C1CCNC1.Cl.
What is the InChIKey of N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride?
The InChIKey is HNOUYIGRLVRYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3.ClH/c1-3-10-19(13-6-7-16-11-13)15(22)5-4-14(21)18-9-8-17-12(2)20;/h13,16H,3-11H2,1-2H3,(H,17,20)(H,18,21);1H.
What are the key properties of N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride?
N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 0.04, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride is sourced from PubChem (CID 119532735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).