N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride

C16H23ClN2O3 — CID 119759596

IUPACN-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(C1CNCCO1)N(Cc1cccc(O)c1)CC1CC1
InChIInChI=1S/C16H22N2O3.ClH/c19-14-3-1-2-13(8-14)11-18(10-12-4-5-12)16(20)15-9-17-6-7-21-15;/h1-3,8,12,15,17,19H,4-7,9-11H2;1H
InChIKeyLWWIDUFRPISNRQ-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.54
Rot. Bonds5

About N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride

N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119759596) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119759596
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(C1CNCCO1)N(Cc1cccc(O)c1)CC1CC1
InChIInChI=1S/C16H22N2O3.ClH/c19-14-3-1-2-13(8-14)11-18(10-12-4-5-12)16(20)15-9-17-6-7-21-15;/h1-3,8,12,15,17,19H,4-7,9-11H2;1H
InChIKeyLWWIDUFRPISNRQ-UHFFFAOYSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]oxolane-2-carboxamide
CID 120790738
N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride
CID 119807977
N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119782435
3-amino-N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119759574
N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide
CID 74237314
N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide
CID 119782436
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66427007
(3-hydroxyphenyl)-morpholin-2-ylmethanone
CID 84675045
N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride
CID 119688848
N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 71875848
N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 68673290
N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119759570

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride (CID 119759596) is N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(C1CNCCO1)N(Cc1cccc(O)c1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is LWWIDUFRPISNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c19-14-3-1-2-13(8-14)11-18(10-12-4-5-12)16(20)15-9-17-6-7-21-15;/h1-3,8,12,15,17,19H,4-7,9-11H2;1H.
What are the key properties of N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride?
N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119759596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).