N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide

C21H31N3O3 — CID 120915797

IUPACN-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(CNC2CCCC2C2COCCN2)c1)C1CCCO1
InChIInChI=1S/C21H31N3O3/c25-21(20-8-3-10-27-20)24-16-5-1-4-15(12-16)13-23-18-7-2-6-17(18)19-14-26-11-9-22-19/h1,4-5,12,17-20,22-23H,2-3,6-11,13-14H2,(H,24,25)
InChIKeyWCHBPIDEHZITOK-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.05
Rot. Bonds6

About N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide

N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide (PubChem CID 120915797) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide
PubChem CID120915797
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(CNC2CCCC2C2COCCN2)c1)C1CCCO1
InChIInChI=1S/C21H31N3O3/c25-21(20-8-3-10-27-20)24-16-5-1-4-15(12-16)13-23-18-7-2-6-17(18)19-14-26-11-9-22-19/h1,4-5,12,17-20,22-23H,2-3,6-11,13-14H2,(H,24,25)
InChIKeyWCHBPIDEHZITOK-UHFFFAOYSA-N
XLogP2.05
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 120914967
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]acetamide;hydrochloride
CID 120915446
[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methanol
CID 120914335
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride
CID 120915330
3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120914232
N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119752027
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914320
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915193
N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 60586470
N-[(4-fluoro-3-methylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914901

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide (CID 120915797) is N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(CNC2CCCC2C2COCCN2)c1)C1CCCO1.
What is the InChIKey of N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide?
The InChIKey is WCHBPIDEHZITOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c25-21(20-8-3-10-27-20)24-16-5-1-4-15(12-16)13-23-18-7-2-6-17(18)19-14-26-11-9-22-19/h1,4-5,12,17-20,22-23H,2-3,6-11,13-14H2,(H,24,25).
What are the key properties of N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide?
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 120915797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).