N-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide

C13H18N2O3 — CID 145418762

IUPACN-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide
SMILESO=CNOCc1ccc(OCC2CCCN2)cc1
InChIInChI=1S/C13H18N2O3/c16-10-15-18-8-11-3-5-13(6-4-11)17-9-12-2-1-7-14-12/h3-6,10,12,14H,1-2,7-9H2,(H,15,16)
InChIKeyKRRXVZJYNQDNLD-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.00
Rot. Bonds7

About N-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide

N-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide (PubChem CID 145418762) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide.

Molecular Properties

Compound NameN-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide
PubChem CID145418762
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide
SMILESO=CNOCc1ccc(OCC2CCCN2)cc1
InChIInChI=1S/C13H18N2O3/c16-10-15-18-8-11-3-5-13(6-4-11)17-9-12-2-1-7-14-12/h3-6,10,12,14H,1-2,7-9H2,(H,15,16)
InChIKeyKRRXVZJYNQDNLD-UHFFFAOYSA-N
XLogP1.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2S)-pyrrolidin-2-yl]methoxy]formamide
CID 142306542
(2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride
CID 68998882
1-[4-(pyrrolidin-2-ylmethoxy)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 134389097
hydron;(2R)-2-[[4-[(4-iodophenyl)methyl]phenoxy]methyl]pyrrolidine;chloride
CID 69001652
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
N-cyclopropyl-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzamide
CID 95169854
N-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)benzenesulfonamide
CID 62348617
2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
CID 69002051
2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 129319981
(4-bromophenyl)-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]methanone
CID 151594530
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide?
The IUPAC name of N-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide (CID 145418762) is N-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide.
What is the SMILES notation for N-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide?
The canonical SMILES for N-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide is O=CNOCc1ccc(OCC2CCCN2)cc1.
What is the InChIKey of N-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide?
The InChIKey is KRRXVZJYNQDNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-10-15-18-8-11-3-5-13(6-4-11)17-9-12-2-1-7-14-12/h3-6,10,12,14H,1-2,7-9H2,(H,15,16).
What are the key properties of N-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide?
N-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide has a molecular weight of 250.30 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide is sourced from PubChem (CID 145418762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).