(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide

C16H29N3O3 — CID 129330732

IUPAC(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide
SMILESCN(CC1CC1)C[C@@H]1CN(C(=O)NC2CCOCC2)CCO1
InChIInChI=1S/C16H29N3O3/c1-18(10-13-2-3-13)11-15-12-19(6-9-22-15)16(20)17-14-4-7-21-8-5-14/h13-15H,2-12H2,1H3,(H,17,20)/t15-/m1/s1
InChIKeyBCQTUPOUYIODSO-OAHLLOKOSA-N
MW311.43 g/mol
LogP0.92
Rot. Bonds5

About (2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide

(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide (PubChem CID 129330732) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide
PubChem CID129330732
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide
SMILESCN(CC1CC1)C[C@@H]1CN(C(=O)NC2CCOCC2)CCO1
InChIInChI=1S/C16H29N3O3/c1-18(10-13-2-3-13)11-15-12-19(6-9-22-15)16(20)17-14-4-7-21-8-5-14/h13-15H,2-12H2,1H3,(H,17,20)/t15-/m1/s1
InChIKeyBCQTUPOUYIODSO-OAHLLOKOSA-N
XLogP0.92
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[(4-tert-butylcycloheptyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122010997
1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 128992624
1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 129343529
1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 129343530
1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 129343528
[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 128969879
N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide
CID 126776750
[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 129334520
N-cyclopentyl-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79832616
(2S)-1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-hydroxy-2-phenylethanone
CID 128970938
[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(3,5-dimethylfuran-2-yl)methanone
CID 128995566
2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone
CID 129341139

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide?
The IUPAC name of (2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide (CID 129330732) is (2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide is CN(CC1CC1)C[C@@H]1CN(C(=O)NC2CCOCC2)CCO1.
What is the InChIKey of (2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide?
The InChIKey is BCQTUPOUYIODSO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-18(10-13-2-3-13)11-15-12-19(6-9-22-15)16(20)17-14-4-7-21-8-5-14/h13-15H,2-12H2,1H3,(H,17,20)/t15-/m1/s1.
What are the key properties of (2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide?
(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-N-(oxan-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 129330732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).