4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide

C18H26N2O4 — CID 120922863

IUPAC4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2cccc(OCC3CCCO3)c2)CCOCC1
InChIInChI=1S/C18H26N2O4/c19-13-18(6-9-22-10-7-18)17(21)20-14-3-1-4-15(11-14)24-12-16-5-2-8-23-16/h1,3-4,11,16H,2,5-10,12-13,19H2,(H,20,21)
InChIKeyVJHOQMYYFJYBIB-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.94
Rot. Bonds6

About 4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide

4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide (PubChem CID 120922863) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide
PubChem CID120922863
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2cccc(OCC3CCCO3)c2)CCOCC1
InChIInChI=1S/C18H26N2O4/c19-13-18(6-9-22-10-7-18)17(21)20-14-3-1-4-15(11-14)24-12-16-5-2-8-23-16/h1,3-4,11,16H,2,5-10,12-13,19H2,(H,20,21)
InChIKeyVJHOQMYYFJYBIB-UHFFFAOYSA-N
XLogP1.94
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
4-(aminomethyl)-N-[3-(2-methoxyethoxy)phenyl]oxane-4-carboxamide
CID 120924293
N-[3-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 46580008
4-(aminomethyl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]oxane-4-carboxamide;hydrochloride
CID 120922910
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]oxane-4-carboxamide
CID 120921235
2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444851
4-(aminomethyl)-N-[3-[(3-methylphenyl)methoxy]phenyl]oxane-4-carboxamide
CID 120932465
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide (CID 120922863) is 4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide is NCC1(C(=O)Nc2cccc(OCC3CCCO3)c2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide?
The InChIKey is VJHOQMYYFJYBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c19-13-18(6-9-22-10-7-18)17(21)20-14-3-1-4-15(11-14)24-12-16-5-2-8-23-16/h1,3-4,11,16H,2,5-10,12-13,19H2,(H,20,21).
What are the key properties of 4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 120922863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).