N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride

C18H26ClN3O3 — CID 119651940

IUPACN-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCNCC1CCCN1C(=O)c1cccc(NC(=O)C2CCCO2)c1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-19-12-15-7-3-9-21(15)18(23)13-5-2-6-14(11-13)20-17(22)16-8-4-10-24-16;/h2,5-6,11,15-16,19H,3-4,7-10,12H2,1H3,(H,20,22);1H
InChIKeyVCXBDSWHFVGKOV-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.05
Rot. Bonds5

About N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride

N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 119651940) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride
PubChem CID119651940
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC NameN-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCNCC1CCCN1C(=O)c1cccc(NC(=O)C2CCCO2)c1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-19-12-15-7-3-9-21(15)18(23)13-5-2-6-14(11-13)20-17(22)16-8-4-10-24-16;/h2,5-6,11,15-16,19H,3-4,7-10,12H2,1H3,(H,20,22);1H
InChIKeyVCXBDSWHFVGKOV-UHFFFAOYSA-N
XLogP2.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;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-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119651472
(2R)-N-[3-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 94637367
N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119651912
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 119403639
N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 45179359
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
2-[4-[3-(oxolane-2-carbonylamino)benzoyl]thiomorpholin-3-yl]acetic acid
CID 119210361
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 119403640
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 42949468
(2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 95775139
tert-butyl N-[[(2R)-4-methyl-1-[3-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazin-2-yl]methyl]carbamate
CID 96538114

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride (CID 119651940) is N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride is CNCC1CCCN1C(=O)c1cccc(NC(=O)C2CCCO2)c1.Cl.
What is the InChIKey of N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is VCXBDSWHFVGKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c1-19-12-15-7-3-9-21(15)18(23)13-5-2-6-14(11-13)20-17(22)16-8-4-10-24-16;/h2,5-6,11,15-16,19H,3-4,7-10,12H2,1H3,(H,20,22);1H.
What are the key properties of N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride?
N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119651940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).