N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide

C17H24N2O3 — CID 75384529

IUPACN-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)N(Cc2ccc(O)cc2)CC2CC2)C1
InChIInChI=1S/C17H24N2O3/c1-18-8-9-22-16(12-18)17(21)19(10-13-2-3-13)11-14-4-6-15(20)7-5-14/h4-7,13,16,20H,2-3,8-12H2,1H3
InChIKeyJBSXJKUAXZUWKU-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.46
Rot. Bonds5

About N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide

N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide (PubChem CID 75384529) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide
PubChem CID75384529
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)N(Cc2ccc(O)cc2)CC2CC2)C1
InChIInChI=1S/C17H24N2O3/c1-18-8-9-22-16(12-18)17(21)19(10-13-2-3-13)11-14-4-6-15(20)7-5-14/h4-7,13,16,20H,2-3,8-12H2,1H3
InChIKeyJBSXJKUAXZUWKU-UHFFFAOYSA-N
XLogP1.46
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide (CID 75384529) is N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide is CN1CCOC(C(=O)N(Cc2ccc(O)cc2)CC2CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide?
The InChIKey is JBSXJKUAXZUWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-18-8-9-22-16(12-18)17(21)19(10-13-2-3-13)11-14-4-6-15(20)7-5-14/h4-7,13,16,20H,2-3,8-12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide?
N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 75384529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).