4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide

C17H26N2O3 — CID 120930913

IUPAC4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide
SMILESCCOc1ccccc1CCNC(=O)C1(CN)CCOCC1
InChIInChI=1S/C17H26N2O3/c1-2-22-15-6-4-3-5-14(15)7-10-19-16(20)17(13-18)8-11-21-12-9-17/h3-6H,2,7-13,18H2,1H3,(H,19,20)
InChIKeyNRZCYSKVUXRACN-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.50
Rot. Bonds7

About 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide

4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide (PubChem CID 120930913) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide
PubChem CID120930913
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide
SMILESCCOc1ccccc1CCNC(=O)C1(CN)CCOCC1
InChIInChI=1S/C17H26N2O3/c1-2-22-15-6-4-3-5-14(15)7-10-19-16(20)17(13-18)8-11-21-12-9-17/h3-6H,2,7-13,18H2,1H3,(H,19,20)
InChIKeyNRZCYSKVUXRACN-UHFFFAOYSA-N
XLogP1.50
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[2-(2-chlorophenyl)ethyl]oxane-4-carboxamide
CID 120921537
4-(aminomethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120936762
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
4-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxane-4-carboxamide
CID 120926006
4-(aminomethyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]oxane-4-carboxamide
CID 120919849
4-(aminomethyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]oxane-4-carboxamide
CID 120925955
1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 97058604
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120917677
4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119317380
(2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide
CID 119772916
2-amino-N-[2-(2-ethoxyphenyl)ethyl]pentanamide
CID 119317373

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide (CID 120930913) is 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide is CCOc1ccccc1CCNC(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide?
The InChIKey is NRZCYSKVUXRACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-22-15-6-4-3-5-14(15)7-10-19-16(20)17(13-18)8-11-21-12-9-17/h3-6H,2,7-13,18H2,1H3,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 120930913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).