N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride

C18H29ClN2O3 — CID 119720999

IUPACN-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)C1CNCCO1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13(2)23-16-8-6-15(7-9-16)5-4-14(3)20-18(21)17-12-19-10-11-22-17;/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3,(H,20,21);1H
InChIKeyOEUFCYDVZTVYJB-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.32
Rot. Bonds7

About N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride

N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119720999) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride
PubChem CID119720999
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC NameN-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)C1CNCCO1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13(2)23-16-8-6-15(7-9-16)5-4-14(3)20-18(21)17-12-19-10-11-22-17;/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3,(H,20,21);1H
InChIKeyOEUFCYDVZTVYJB-UHFFFAOYSA-N
XLogP2.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119748246
N-(1-cyclopropylpropan-2-yl)morpholine-2-carboxamide;hydrochloride
CID 119784606
N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119806702
N-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119683082
N-[2-(4-fluorophenoxy)propyl]morpholine-2-carboxamide
CID 119804499
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119707554
N-[4-(4-methoxyphenyl)butan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119288096
2-morpholin-2-yl-N-(4-propan-2-yloxyphenyl)acetamide
CID 66432987
N-[1-(4-methoxyphenyl)pentyl]morpholine-2-carboxamide;hydrochloride
CID 119774281
1-methyl-2-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-4-carboxamide
CID 51088386
N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 119754107
2-(methylamino)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 119720978

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride (CID 119720999) is N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride is CC(CCc1ccc(OC(C)C)cc1)NC(=O)C1CNCCO1.Cl.
What is the InChIKey of N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is OEUFCYDVZTVYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-13(2)23-16-8-6-15(7-9-16)5-4-14(3)20-18(21)17-12-19-10-11-22-17;/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3,(H,20,21);1H.
What are the key properties of N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride?
N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119720999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).