4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide

C14H19N3O3 — CID 115438930

IUPAC4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2ccccc2C(N)=O)CCOCC1
InChIInChI=1S/C14H19N3O3/c15-9-14(5-7-20-8-6-14)13(19)17-11-4-2-1-3-10(11)12(16)18/h1-4H,5-9,15H2,(H2,16,18)(H,17,19)
InChIKeyCFFZWFGJNQJWTE-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.48
Rot. Bonds4

About 4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide

4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide (PubChem CID 115438930) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide
PubChem CID115438930
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2ccccc2C(N)=O)CCOCC1
InChIInChI=1S/C14H19N3O3/c15-9-14(5-7-20-8-6-14)13(19)17-11-4-2-1-3-10(11)12(16)18/h1-4H,5-9,15H2,(H2,16,18)(H,17,19)
InChIKeyCFFZWFGJNQJWTE-UHFFFAOYSA-N
XLogP0.48
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]benzamide
CID 115434729
1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
CID 115443739
4-(aminomethyl)-N-[2-(methylcarbamoyl)phenyl]oxane-4-carboxamide
CID 115438931
4-(aminomethyl)-N-(2-bromophenyl)oxane-4-carboxamide
CID 115438925
4-(aminomethyl)-N-(2-hydroxy-3-methylphenyl)oxane-4-carboxamide
CID 115439713
2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]benzoic acid
CID 115448247
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-5-chlorobenzoic acid
CID 115439336
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide
CID 115438956
4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120922590
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-6-methylbenzoic acid
CID 115439600
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-4-chlorobenzoic acid
CID 115439349

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide (CID 115438930) is 4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide is NCC1(C(=O)Nc2ccccc2C(N)=O)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide?
The InChIKey is CFFZWFGJNQJWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-9-14(5-7-20-8-6-14)13(19)17-11-4-2-1-3-10(11)12(16)18/h1-4H,5-9,15H2,(H2,16,18)(H,17,19).
What are the key properties of 4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 115438930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).