1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide

C20H29N3O2 — CID 84596884

IUPAC1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
SMILESCN(C)C1(C(=O)NC2CCN(C(=O)CCc3ccccc3)C2)CCC1
InChIInChI=1S/C20H29N3O2/c1-22(2)20(12-6-13-20)19(25)21-17-11-14-23(15-17)18(24)10-9-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-15H2,1-2H3,(H,21,25)
InChIKeyORZGARWZWJWYQG-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.82
Rot. Bonds6

About 1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide

1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide (PubChem CID 84596884) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
PubChem CID84596884
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
SMILESCN(C)C1(C(=O)NC2CCN(C(=O)CCc3ccccc3)C2)CCC1
InChIInChI=1S/C20H29N3O2/c1-22(2)20(12-6-13-20)19(25)21-17-11-14-23(15-17)18(24)10-9-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-15H2,1-2H3,(H,21,25)
InChIKeyORZGARWZWJWYQG-UHFFFAOYSA-N
XLogP1.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide 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

2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]thiolane-2-carboxamide
CID 86782613
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119295785
2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 119339216
3-methyl-1-[[1-(3-phenylpropanoyl)pyrrolidin-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122006185
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745
7-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]heptanamide
CID 119810962
2-methyl-N-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-1H-pyrrole-3-carboxamide
CID 97066119
(2S,4S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]piperidine-4-carboxamide
CID 120637262
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide
CID 136534273
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
2-(1,2-oxazol-3-yl)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide
CID 71854795

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide (CID 84596884) is 1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide is CN(C)C1(C(=O)NC2CCN(C(=O)CCc3ccccc3)C2)CCC1.
What is the InChIKey of 1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide?
The InChIKey is ORZGARWZWJWYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-22(2)20(12-6-13-20)19(25)21-17-11-14-23(15-17)18(24)10-9-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-15H2,1-2H3,(H,21,25).
What are the key properties of 1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide?
1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 84596884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).