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

C25H36N2O4 — CID 13388918

IUPAC4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccc(OCC(O)CNC(C)C)cc2)cc1
InChIInChI=1S/C25H36N2O4/c1-4-5-6-7-16-30-23-12-8-20(9-13-23)25(29)27-21-10-14-24(15-11-21)31-18-22(28)17-26-19(2)3/h8-15,19,22,26,28H,4-7,16-18H2,1-3H3,(H,27,29)
InChIKeyZNUAXNSCZUFCNX-UHFFFAOYSA-N
MW428.57 g/mol
LogP4.64
Rot. Bonds14

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

4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide (PubChem CID 13388918) has the molecular formula C25H36N2O4 and a molecular weight of 428.57 g/mol. Its IUPAC name is 4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide
PubChem CID13388918
Molecular FormulaC25H36N2O4
Molecular Weight428.57 g/mol
Exact Mass428.27
IUPAC Name4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccc(OCC(O)CNC(C)C)cc2)cc1
InChIInChI=1S/C25H36N2O4/c1-4-5-6-7-16-30-23-12-8-20(9-13-23)25(29)27-21-10-14-24(15-11-21)31-18-22(28)17-26-19(2)3/h8-15,19,22,26,28H,4-7,16-18H2,1-3H3,(H,27,29)
InChIKeyZNUAXNSCZUFCNX-UHFFFAOYSA-N
XLogP4.64
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 4951578
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-pentylbenzamide
CID 14853054
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-phenylmethoxybenzamide
CID 13388920
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883
3-methylbutyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170770
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
1-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-3-propylurea
CID 129396080

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide?
The IUPAC name of 4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide (CID 13388918) is 4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide.
What is the SMILES notation for 4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide?
The canonical SMILES for 4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide is CCCCCCOc1ccc(C(=O)Nc2ccc(OCC(O)CNC(C)C)cc2)cc1.
What is the InChIKey of 4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide?
The InChIKey is ZNUAXNSCZUFCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4/c1-4-5-6-7-16-30-23-12-8-20(9-13-23)25(29)27-21-10-14-24(15-11-21)31-18-22(28)17-26-19(2)3/h8-15,19,22,26,28H,4-7,16-18H2,1-3H3,(H,27,29).
What are the key properties of 4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide?
4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide has a molecular weight of 428.57 g/mol, XLogP of 4.64, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]benzamide is sourced from PubChem (CID 13388918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).