N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide

C23H25NO4 — CID 97414295

IUPACN-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCC[C@H](O)c1cc2ccccc2o1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H25NO4/c25-19(21-16-17-6-4-5-9-20(17)28-21)10-13-24-22(26)23(11-14-27-15-12-23)18-7-2-1-3-8-18/h1-9,16,19,25H,10-15H2,(H,24,26)/t19-/m0/s1
InChIKeyRGNLULVRFVRVQR-IBGZPJMESA-N
MW379.46 g/mol
LogP3.72
Rot. Bonds6

About N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide

N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide (PubChem CID 97414295) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide
PubChem CID97414295
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC NameN-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCC[C@H](O)c1cc2ccccc2o1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H25NO4/c25-19(21-16-17-6-4-5-9-20(17)28-21)10-13-24-22(26)23(11-14-27-15-12-23)18-7-2-1-3-8-18/h1-9,16,19,25H,10-15H2,(H,24,26)/t19-/m0/s1
InChIKeyRGNLULVRFVRVQR-IBGZPJMESA-N
XLogP3.72
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide
CID 96568311
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-bromofuran-2-carboxamide
CID 97414288
N-(3,3-diphenylpropyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 27456804
(2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide
CID 97414269
N-(2-indol-1-ylethyl)-4-phenyloxane-4-carboxamide
CID 56763634
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
CID 71804286
1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol
CID 71150503
1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804285
N-[2-(methylamino)propyl]-4-phenyloxane-4-carboxamide;hydrochloride
CID 120832802
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 97414306
N-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 71804264

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide (CID 97414295) is N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide is O=C(NCC[C@H](O)c1cc2ccccc2o1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide?
The InChIKey is RGNLULVRFVRVQR-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25NO4/c25-19(21-16-17-6-4-5-9-20(17)28-21)10-13-24-22(26)23(11-14-27-15-12-23)18-7-2-1-3-8-18/h1-9,16,19,25H,10-15H2,(H,24,26)/t19-/m0/s1.
What are the key properties of N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide?
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 97414295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).