(2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide

C18H27NO3 — CID 99996591

IUPAC(2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCC[C@@H](O)C1CCOCC1)c1ccccc1
InChIInChI=1S/C18H27NO3/c1-2-16(14-6-4-3-5-7-14)18(21)19-11-8-17(20)15-9-12-22-13-10-15/h3-7,15-17,20H,2,8-13H2,1H3,(H,19,21)/t16-,17-/m1/s1
InChIKeyNTSDBTFPDBJIEE-IAGOWNOFSA-N
MW305.42 g/mol
LogP2.47
Rot. Bonds7

About (2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide

(2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide (PubChem CID 99996591) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide
PubChem CID99996591
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCC[C@@H](O)C1CCOCC1)c1ccccc1
InChIInChI=1S/C18H27NO3/c1-2-16(14-6-4-3-5-7-14)18(21)19-11-8-17(20)15-9-12-22-13-10-15/h3-7,15-17,20H,2,8-13H2,1H3,(H,19,21)/t16-,17-/m1/s1
InChIKeyNTSDBTFPDBJIEE-IAGOWNOFSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide
CID 99996598
1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea
CID 99997106
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
2-amino-N-(3,3-diphenylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783183
N-[2-(2-phenylbutanoylamino)ethyl]cyclopropanecarboxamide
CID 47111718
N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide
CID 99996481
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-2-phenylbutanamide
CID 121021211
2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 120791093
(2R)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-phenylbutanamide
CID 100696177
1-(oxan-4-yl)-3-phenylbutan-1-ol
CID 63937274
N-(4-aminopentyl)-2-phenylbutanamide
CID 106122519

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide (CID 99996591) is (2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide is CC[C@@H](C(=O)NCC[C@@H](O)C1CCOCC1)c1ccccc1.
What is the InChIKey of (2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide?
The InChIKey is NTSDBTFPDBJIEE-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H27NO3/c1-2-16(14-6-4-3-5-7-14)18(21)19-11-8-17(20)15-9-12-22-13-10-15/h3-7,15-17,20H,2,8-13H2,1H3,(H,19,21)/t16-,17-/m1/s1.
What are the key properties of (2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide?
(2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide has a molecular weight of 305.42 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide is sourced from PubChem (CID 99996591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).