(2S)-N,N-dimethyl-2-phenyl-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide

C18H28N2O2 — CID 129472397

IUPAC(2S)-N,N-dimethyl-2-phenyl-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide
SMILESCC(C)[C@H]1OCC[C@@H]1CN[C@H](C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-13(2)17-15(10-11-22-17)12-19-16(18(21)20(3)4)14-8-6-5-7-9-14/h5-9,13,15-17,19H,10-12H2,1-4H3/t15-,16+,17-/m1/s1
InChIKeyPDSWPAJXBIVFLT-IXDOHACOSA-N
MW304.43 g/mol
LogP2.47
Rot. Bonds6

About (2S)-N,N-dimethyl-2-phenyl-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide

(2S)-N,N-dimethyl-2-phenyl-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide (PubChem CID 129472397) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-phenyl-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-phenyl-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide
PubChem CID129472397
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2S)-N,N-dimethyl-2-phenyl-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide
SMILESCC(C)[C@H]1OCC[C@@H]1CN[C@H](C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-13(2)17-15(10-11-22-17)12-19-16(18(21)20(3)4)14-8-6-5-7-9-14/h5-9,13,15-17,19H,10-12H2,1-4H3/t15-,16+,17-/m1/s1
InChIKeyPDSWPAJXBIVFLT-IXDOHACOSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N,N-dimethyl-2-phenyl-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide with MolForge

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Related Compounds

(2S)-2-(4-bromophenyl)-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide
CID 129338347
N,N-dimethyl-2-phenyl-2-(propylamino)acetamide
CID 142268246
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)methylamino]acetic acid
CID 122038525
2-benzyl-1,1-dimethyl-3-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800046
3-[[(2-propan-2-yloxolan-3-yl)methylamino]methyl]benzoic acid
CID 122031730
(2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide
CID 97315932
(2R)-2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 98690157
2-methyl-3-[methyl-[(2-propan-2-yloxolan-3-yl)methylcarbamoyl]amino]propanoic acid
CID 122005193
N,N-dimethyl-4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidine-1-carboxamide
CID 129000271
N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine
CID 115726723
(2S)-2-[[(2S)-2-methoxy-2-phenylacetyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 99853132
(2S)-2-[[2-(hydroxyamino)acetyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 143355989

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-phenyl-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide?
The IUPAC name of (2S)-N,N-dimethyl-2-phenyl-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide (CID 129472397) is (2S)-N,N-dimethyl-2-phenyl-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-phenyl-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-phenyl-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide is CC(C)[C@H]1OCC[C@@H]1CN[C@H](C(=O)N(C)C)c1ccccc1.
What is the InChIKey of (2S)-N,N-dimethyl-2-phenyl-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide?
The InChIKey is PDSWPAJXBIVFLT-IXDOHACOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)17-15(10-11-22-17)12-19-16(18(21)20(3)4)14-8-6-5-7-9-14/h5-9,13,15-17,19H,10-12H2,1-4H3/t15-,16+,17-/m1/s1.
What are the key properties of (2S)-N,N-dimethyl-2-phenyl-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide?
(2S)-N,N-dimethyl-2-phenyl-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-phenyl-2-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]acetamide is sourced from PubChem (CID 129472397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).