N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide

C26H30N2O4 — CID 13388920

IUPACN-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide
SMILESCC(C)NCC(O)COc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H30N2O4/c1-19(2)27-16-23(29)18-32-25-14-10-22(11-15-25)28-26(30)21-8-12-24(13-9-21)31-17-20-6-4-3-5-7-20/h3-15,19,23,27,29H,16-18H2,1-2H3,(H,28,30)
InChIKeyILVOBVKOBNDGMI-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.26
Rot. Bonds11

About N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide

N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide (PubChem CID 13388920) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide
PubChem CID13388920
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC NameN-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide
SMILESCC(C)NCC(O)COc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H30N2O4/c1-19(2)27-16-23(29)18-32-25-14-10-22(11-15-25)28-26(30)21-8-12-24(13-9-21)31-17-20-6-4-3-5-7-20/h3-15,19,23,27,29H,16-18H2,1-2H3,(H,28,30)
InChIKeyILVOBVKOBNDGMI-UHFFFAOYSA-N
XLogP4.26
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide
CID 13388918
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840386

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide?
The IUPAC name of N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide (CID 13388920) is N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide is CC(C)NCC(O)COc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide?
The InChIKey is ILVOBVKOBNDGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-19(2)27-16-23(29)18-32-25-14-10-22(11-15-25)28-26(30)21-8-12-24(13-9-21)31-17-20-6-4-3-5-7-20/h3-15,19,23,27,29H,16-18H2,1-2H3,(H,28,30).
What are the key properties of N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide?
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide has a molecular weight of 434.54 g/mol, XLogP of 4.26, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 13388920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).