4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide

C19H29N3O3 — CID 120931177

IUPAC4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C19H29N3O3/c1-4-22(18(24)19(14-20)9-11-25-12-10-19)13-15-5-7-16(8-6-15)17(23)21(2)3/h5-8H,4,9-14,20H2,1-3H3
InChIKeyXKWXDKWIFTZYDE-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.49
Rot. Bonds6

About 4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide

4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide (PubChem CID 120931177) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide
PubChem CID120931177
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C19H29N3O3/c1-4-22(18(24)19(14-20)9-11-25-12-10-19)13-15-5-7-16(8-6-15)17(23)21(2)3/h5-8H,4,9-14,20H2,1-3H3
InChIKeyXKWXDKWIFTZYDE-UHFFFAOYSA-N
XLogP1.49
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide (CID 120931177) is 4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide?
The InChIKey is XKWXDKWIFTZYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-22(18(24)19(14-20)9-11-25-12-10-19)13-15-5-7-16(8-6-15)17(23)21(2)3/h5-8H,4,9-14,20H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide?
4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyloxane-4-carboxamide is sourced from PubChem (CID 120931177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).