(3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide

C16H24N2O3 — CID 124595367

IUPAC(3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide
SMILESCC(C)CCOc1ccc(NC(=O)[C@H]2COCCN2)cc1
InChIInChI=1S/C16H24N2O3/c1-12(2)7-9-21-14-5-3-13(4-6-14)18-16(19)15-11-20-10-8-17-15/h3-6,12,15,17H,7-11H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyCMRAIIXOFKSFQX-OAHLLOKOSA-N
MW292.38 g/mol
LogP2.04
Rot. Bonds6

About (3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide

(3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide (PubChem CID 124595367) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide
PubChem CID124595367
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide
SMILESCC(C)CCOc1ccc(NC(=O)[C@H]2COCCN2)cc1
InChIInChI=1S/C16H24N2O3/c1-12(2)7-9-21-14-5-3-13(4-6-14)18-16(19)15-11-20-10-8-17-15/h3-6,12,15,17H,7-11H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyCMRAIIXOFKSFQX-OAHLLOKOSA-N
XLogP2.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methylpropyl)phenyl]morpholine-3-carboxamide
CID 115177537
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241
N-(4-phenoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 75422319
N-[4-[(2-fluorophenyl)methoxy]phenyl]morpholine-3-carboxamide
CID 119762553
(3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide
CID 124682602
N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119694151
ethyl 4-(morpholine-3-carbonylamino)benzoate;hydrochloride
CID 119672431
(3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide
CID 166299163
N-[4-(propylsulfonylamino)phenyl]morpholine-3-carboxamide
CID 119754209
N-(3-ethyl-4-methoxyphenyl)morpholine-3-carboxamide
CID 115177545
N-[[4-(2-methoxyethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119723243
N-[(4-propoxyphenyl)methyl]morpholine-3-carboxamide
CID 119714341

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide (CID 124595367) is (3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide is CC(C)CCOc1ccc(NC(=O)[C@H]2COCCN2)cc1.
What is the InChIKey of (3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide?
The InChIKey is CMRAIIXOFKSFQX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)7-9-21-14-5-3-13(4-6-14)18-16(19)15-11-20-10-8-17-15/h3-6,12,15,17H,7-11H2,1-2H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide?
(3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 124595367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).