4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide

C18H28N2O4 — CID 120933679

IUPAC4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide
SMILESCC(C)Oc1cccc(C(O)CNC(=O)C2(CN)CCOCC2)c1
InChIInChI=1S/C18H28N2O4/c1-13(2)24-15-5-3-4-14(10-15)16(21)11-20-17(22)18(12-19)6-8-23-9-7-18/h3-5,10,13,16,21H,6-9,11-12,19H2,1-2H3,(H,20,22)
InChIKeyYVKQPLNGWLADOH-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.38
Rot. Bonds7

About 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide

4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide (PubChem CID 120933679) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide
PubChem CID120933679
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide
SMILESCC(C)Oc1cccc(C(O)CNC(=O)C2(CN)CCOCC2)c1
InChIInChI=1S/C18H28N2O4/c1-13(2)24-15-5-3-4-14(10-15)16(21)11-20-17(22)18(12-19)6-8-23-9-7-18/h3-5,10,13,16,21H,6-9,11-12,19H2,1-2H3,(H,20,22)
InChIKeyYVKQPLNGWLADOH-UHFFFAOYSA-N
XLogP1.38
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120923965
1-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119792524
4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 119328600
4-(aminomethyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxane-4-carboxamide
CID 106435490
4-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120932524
1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 119765478
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450793
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 111423701
4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide
CID 115439767
2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 119792549
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylfuran-3-carboxamide
CID 111423746
2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide
CID 119792571

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide (CID 120933679) is 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide is CC(C)Oc1cccc(C(O)CNC(=O)C2(CN)CCOCC2)c1.
What is the InChIKey of 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide?
The InChIKey is YVKQPLNGWLADOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-13(2)24-15-5-3-4-14(10-15)16(21)11-20-17(22)18(12-19)6-8-23-9-7-18/h3-5,10,13,16,21H,6-9,11-12,19H2,1-2H3,(H,20,22).
What are the key properties of 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 120933679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).