N-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide

C19H24N4O2 — CID 110246611

IUPACN-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide
SMILESCC(C)c1ncc(CN2CCOC(C(=O)Nc3ccccc3)C2)cn1
InChIInChI=1S/C19H24N4O2/c1-14(2)18-20-10-15(11-21-18)12-23-8-9-25-17(13-23)19(24)22-16-6-4-3-5-7-16/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3,(H,22,24)
InChIKeyIOKCJWPDPFTCCA-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.44
Rot. Bonds5

About N-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide

N-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide (PubChem CID 110246611) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide
PubChem CID110246611
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide
SMILESCC(C)c1ncc(CN2CCOC(C(=O)Nc3ccccc3)C2)cn1
InChIInChI=1S/C19H24N4O2/c1-14(2)18-20-10-15(11-21-18)12-23-8-9-25-17(13-23)19(24)22-16-6-4-3-5-7-16/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3,(H,22,24)
InChIKeyIOKCJWPDPFTCCA-UHFFFAOYSA-N
XLogP2.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-benzyl-N-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]morpholine-2-carboxamide
CID 96536863
4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995
(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide
CID 97216021
(2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide
CID 97259995
4-benzyl-N-[1-(furan-2-yl)propan-2-yl]morpholine-2-carboxamide
CID 75373190
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
(2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid
CID 120615247
4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid
CID 131909517
(2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide
CID 97041956
N-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638872
(2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide
CID 95775872
(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 92581391

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of N-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide (CID 110246611) is N-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide is CC(C)c1ncc(CN2CCOC(C(=O)Nc3ccccc3)C2)cn1.
What is the InChIKey of N-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide?
The InChIKey is IOKCJWPDPFTCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14(2)18-20-10-15(11-21-18)12-23-8-9-25-17(13-23)19(24)22-16-6-4-3-5-7-16/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide?
N-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 110246611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).