(2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide

C18H27NO4 — CID 95164985

IUPAC(2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide
SMILESC[C@H](OC[C@H]1CCCO1)C(=O)N(C)CCCOc1ccccc1
InChIInChI=1S/C18H27NO4/c1-15(23-14-17-10-6-12-22-17)18(20)19(2)11-7-13-21-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3/t15-,17+/m0/s1
InChIKeyMGOZPKVRLPYLLK-DOTOQJQBSA-N
MW321.42 g/mol
LogP2.50
Rot. Bonds9

About (2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide

(2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide (PubChem CID 95164985) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is (2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide
PubChem CID95164985
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name(2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide
SMILESC[C@H](OC[C@H]1CCCO1)C(=O)N(C)CCCOc1ccccc1
InChIInChI=1S/C18H27NO4/c1-15(23-14-17-10-6-12-22-17)18(20)19(2)11-7-13-21-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3/t15-,17+/m0/s1
InChIKeyMGOZPKVRLPYLLK-DOTOQJQBSA-N
XLogP2.50
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(oxolan-2-ylmethoxy)-N-(3-phenoxypropyl)propanamide
CID 48856030
3-[methyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]propanoic acid
CID 119232781
N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide
CID 48846486
2-[benzyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]acetic acid
CID 119196865
oxan-2-ylmethyl 4-phenoxybutanoate
CID 78788814
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95271481
3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid
CID 119207645
2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid
CID 119203382
(2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95150032
2-[4-[2-[2-(oxolan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255918
N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide
CID 126834949
2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119209049

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide?
The IUPAC name of (2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide (CID 95164985) is (2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide.
What is the SMILES notation for (2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide?
The canonical SMILES for (2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide is C[C@H](OC[C@H]1CCCO1)C(=O)N(C)CCCOc1ccccc1.
What is the InChIKey of (2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide?
The InChIKey is MGOZPKVRLPYLLK-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H27NO4/c1-15(23-14-17-10-6-12-22-17)18(20)19(2)11-7-13-21-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3/t15-,17+/m0/s1.
What are the key properties of (2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide?
(2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide has a molecular weight of 321.42 g/mol, XLogP of 2.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-(3-phenoxypropyl)propanamide is sourced from PubChem (CID 95164985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).