4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide

C19H29N3O3 — CID 120938284

IUPAC4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C19H29N3O3/c1-21(18(23)19(15-20)6-10-24-11-7-19)14-16-4-2-3-5-17(16)22-8-12-25-13-9-22/h2-5H,6-15,20H2,1H3
InChIKeyCUCGURWDANVRBH-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.24
Rot. Bonds5

About 4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide

4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide (PubChem CID 120938284) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide
PubChem CID120938284
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C19H29N3O3/c1-21(18(23)19(15-20)6-10-24-11-7-19)14-16-4-2-3-5-17(16)22-8-12-25-13-9-22/h2-5H,6-15,20H2,1H3
InChIKeyCUCGURWDANVRBH-UHFFFAOYSA-N
XLogP1.24
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide (CID 120938284) is 4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide is CN(Cc1ccccc1N1CCOCC1)C(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide?
The InChIKey is CUCGURWDANVRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-21(18(23)19(15-20)6-10-24-11-7-19)14-16-4-2-3-5-17(16)22-8-12-25-13-9-22/h2-5H,6-15,20H2,1H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 120938284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).