(2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide

C16H31N3O3 — CID 35361579

IUPAC(2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
SMILESCC(=O)N[C@H](C(=O)NC[C@@H]1CN(CC(C)C)CCO1)C(C)C
InChIInChI=1S/C16H31N3O3/c1-11(2)9-19-6-7-22-14(10-19)8-17-16(21)15(12(3)4)18-13(5)20/h11-12,14-15H,6-10H2,1-5H3,(H,17,21)(H,18,20)/t14-,15+/m1/s1
InChIKeyXRKDFMZYIWIQEC-CABCVRRESA-N
MW313.44 g/mol
LogP0.62
Rot. Bonds7

About (2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide

(2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide (PubChem CID 35361579) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is (2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
PubChem CID35361579
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name(2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
SMILESCC(=O)N[C@H](C(=O)NC[C@@H]1CN(CC(C)C)CCO1)C(C)C
InChIInChI=1S/C16H31N3O3/c1-11(2)9-19-6-7-22-14(10-19)8-17-16(21)15(12(3)4)18-13(5)20/h11-12,14-15H,6-10H2,1-5H3,(H,17,21)(H,18,20)/t14-,15+/m1/s1
InChIKeyXRKDFMZYIWIQEC-CABCVRRESA-N
XLogP0.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide with MolForge

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Related Compounds

N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
CID 39484110
2-amino-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120797192
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
CID 55938732
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 120669400
2-[methyl-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]acetic acid
CID 119905834
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119834444
(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 104921013
2-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 166016856
N-[2-[(2R)-4-(2-methylpropyl)morpholin-2-yl]ethyl]prop-1-en-2-amine
CID 155448674

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide?
The IUPAC name of (2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide (CID 35361579) is (2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide.
What is the SMILES notation for (2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide?
The canonical SMILES for (2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide is CC(=O)N[C@H](C(=O)NC[C@@H]1CN(CC(C)C)CCO1)C(C)C.
What is the InChIKey of (2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide?
The InChIKey is XRKDFMZYIWIQEC-CABCVRRESA-N. The full InChI is InChI=1S/C16H31N3O3/c1-11(2)9-19-6-7-22-14(10-19)8-17-16(21)15(12(3)4)18-13(5)20/h11-12,14-15H,6-10H2,1-5H3,(H,17,21)(H,18,20)/t14-,15+/m1/s1.
What are the key properties of (2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide?
(2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide has a molecular weight of 313.44 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide is sourced from PubChem (CID 35361579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).