N-[(1S)-1-[(2S)-6-[[4-(cyclopropylmethoxy)phenyl]methoxy]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide

C23H27NO4 — CID 58047330

IUPACN-[(1S)-1-[(2S)-6-[[4-(cyclopropylmethoxy)phenyl]methoxy]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)[C@@H]1Cc2ccc(OCc3ccc(OCC4CC4)cc3)cc2O1
InChIInChI=1S/C23H27NO4/c1-15(24-16(2)25)22-11-19-7-10-21(12-23(19)28-22)27-14-18-5-8-20(9-6-18)26-13-17-3-4-17/h5-10,12,15,17,22H,3-4,11,13-14H2,1-2H3,(H,24,25)/t15-,22-/m0/s1
InChIKeyZRXXHLYJCAKLRJ-NYHFZMIOSA-N
MW381.47 g/mol
LogP3.88
Rot. Bonds8

About N-[(1S)-1-[(2S)-6-[[4-(cyclopropylmethoxy)phenyl]methoxy]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide

N-[(1S)-1-[(2S)-6-[[4-(cyclopropylmethoxy)phenyl]methoxy]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide (PubChem CID 58047330) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is N-[(1S)-1-[(2S)-6-[[4-(cyclopropylmethoxy)phenyl]methoxy]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[(2S)-6-[[4-(cyclopropylmethoxy)phenyl]methoxy]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide
PubChem CID58047330
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC NameN-[(1S)-1-[(2S)-6-[[4-(cyclopropylmethoxy)phenyl]methoxy]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)[C@@H]1Cc2ccc(OCc3ccc(OCC4CC4)cc3)cc2O1
InChIInChI=1S/C23H27NO4/c1-15(24-16(2)25)22-11-19-7-10-21(12-23(19)28-22)27-14-18-5-8-20(9-6-18)26-13-17-3-4-17/h5-10,12,15,17,22H,3-4,11,13-14H2,1-2H3,(H,24,25)/t15-,22-/m0/s1
InChIKeyZRXXHLYJCAKLRJ-NYHFZMIOSA-N
XLogP3.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[(2R)-6-[2-(4-phenylmethoxyphenyl)ethynyl]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide;N-[(1S)-1-[(2S)-6-[2-(4-phenylmethoxyphenyl)ethynyl]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide
CID 159165928
N-[(1R)-1-[(2R)-6-[2-(4-phenylmethoxyphenyl)ethynyl]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide
CID 58047669
methyl (2S)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 101035313
[4-(cyclopropylmethoxy)phenyl]methyl 2-(2-methylbutanoylamino)butanoate
CID 91251724
N-[(2S)-1-[[6-[6-(cyclopropylmethoxy)-2-ethyl-3H-1-benzofuran-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
CID 67778297
N-[(2S)-1-[[5-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-1,2-oxazol-3-yl]oxy]propan-2-yl]acetamide
CID 67778633
N-[(2S)-1-[[6-[5-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]-3-pyridinyl]oxy]propan-2-yl]acetamide
CID 67777812
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide
CID 10490793
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutanoic acid
CID 120510622
ethyl 7-[(4-methylphenyl)methoxy]-3,4-dihydro-2H-chromene-2-carboxylate
CID 163392783
[4-(cyclopropylmethoxy)phenyl] acetate
CID 91264469
N'-[[4-(cyclopropylmethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 120843624

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(2S)-6-[[4-(cyclopropylmethoxy)phenyl]methoxy]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[(2S)-6-[[4-(cyclopropylmethoxy)phenyl]methoxy]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide (CID 58047330) is N-[(1S)-1-[(2S)-6-[[4-(cyclopropylmethoxy)phenyl]methoxy]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[(2S)-6-[[4-(cyclopropylmethoxy)phenyl]methoxy]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[(2S)-6-[[4-(cyclopropylmethoxy)phenyl]methoxy]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide is CC(=O)N[C@@H](C)[C@@H]1Cc2ccc(OCc3ccc(OCC4CC4)cc3)cc2O1.
What is the InChIKey of N-[(1S)-1-[(2S)-6-[[4-(cyclopropylmethoxy)phenyl]methoxy]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide?
The InChIKey is ZRXXHLYJCAKLRJ-NYHFZMIOSA-N. The full InChI is InChI=1S/C23H27NO4/c1-15(24-16(2)25)22-11-19-7-10-21(12-23(19)28-22)27-14-18-5-8-20(9-6-18)26-13-17-3-4-17/h5-10,12,15,17,22H,3-4,11,13-14H2,1-2H3,(H,24,25)/t15-,22-/m0/s1.
What are the key properties of N-[(1S)-1-[(2S)-6-[[4-(cyclopropylmethoxy)phenyl]methoxy]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide?
N-[(1S)-1-[(2S)-6-[[4-(cyclopropylmethoxy)phenyl]methoxy]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide has a molecular weight of 381.47 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(2S)-6-[[4-(cyclopropylmethoxy)phenyl]methoxy]-2,3-dihydro-1-benzofuran-2-yl]ethyl]acetamide is sourced from PubChem (CID 58047330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).