N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide

C27H27N3O3 — CID 130472859

IUPACN-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2nn(-c3ccc(Oc4cccc(OCC5CC5)c4)cc3)cc2c1
InChIInChI=1S/C27H27N3O3/c1-18(28-19(2)31)21-8-13-27-22(14-21)16-30(29-27)23-9-11-24(12-10-23)33-26-5-3-4-25(15-26)32-17-20-6-7-20/h3-5,8-16,18,20H,6-7,17H2,1-2H3,(H,28,31)
InChIKeyBJEAYPJBCSCDGW-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.80
Rot. Bonds8

About N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide

N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide (PubChem CID 130472859) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide
PubChem CID130472859
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc2nn(-c3ccc(Oc4cccc(OCC5CC5)c4)cc3)cc2c1
InChIInChI=1S/C27H27N3O3/c1-18(28-19(2)31)21-8-13-27-22(14-21)16-30(29-27)23-9-11-24(12-10-23)33-26-5-3-4-25(15-26)32-17-20-6-7-20/h3-5,8-16,18,20H,6-7,17H2,1-2H3,(H,28,31)
InChIKeyBJEAYPJBCSCDGW-UHFFFAOYSA-N
XLogP5.80
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472862
N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472709
N-[1-[6-(3-ethoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68759728
N-[1-[6-[[4-[3-(cyclopropylmethoxy)phenoxy]-2-fluorophenyl]methoxy]-3-pyridinyl]ethyl]acetamide
CID 134226929
N-[1-[2-[3-bromo-4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472842
N-[1-[2-[3-[3-(cyclopropylmethoxy)phenoxy]azetidin-1-yl]-1,3-benzoxazol-5-yl]ethyl]acetamide
CID 130472744
N-[(2S)-1-[4-(5-hydroxyindazol-2-yl)phenoxy]propan-2-yl]acetamide
CID 67777850
N-[1-[4-[6-(cyclopropylmethoxy)indazol-2-yl]-3,5-difluorophenoxy]propan-2-yl]acetamide
CID 77353586
N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
CID 134226841
N-[1-[6-(3-methoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68761728
N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
CID 68759815
6-(cyclopropylmethoxy)-2-phenylindazole
CID 141339260

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide (CID 130472859) is N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide is CC(=O)NC(C)c1ccc2nn(-c3ccc(Oc4cccc(OCC5CC5)c4)cc3)cc2c1.
What is the InChIKey of N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide?
The InChIKey is BJEAYPJBCSCDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-18(28-19(2)31)21-8-13-27-22(14-21)16-30(29-27)23-9-11-24(12-10-23)33-26-5-3-4-25(15-26)32-17-20-6-7-20/h3-5,8-16,18,20H,6-7,17H2,1-2H3,(H,28,31).
What are the key properties of N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide?
N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide has a molecular weight of 441.53 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]indazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 130472859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).