N-propyl-4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butanamide

C30H37NO3 — CID 86653783

IUPACN-propyl-4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butanamide
SMILESCCCNC(=O)CCCc1c(C)c(OCc2ccccc2)c(C)c(C)c1OCc1ccccc1
InChIInChI=1S/C30H37NO3/c1-5-19-31-28(32)18-12-17-27-24(4)29(33-20-25-13-8-6-9-14-25)22(2)23(3)30(27)34-21-26-15-10-7-11-16-26/h6-11,13-16H,5,12,17-21H2,1-4H3,(H,31,32)
InChIKeyPUKYGROKOJAXIV-UHFFFAOYSA-N
MW459.63 g/mol
LogP6.62
Rot. Bonds12

About N-propyl-4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butanamide

N-propyl-4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butanamide (PubChem CID 86653783) has the molecular formula C30H37NO3 and a molecular weight of 459.63 g/mol. Its IUPAC name is N-propyl-4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butanamide.

Molecular Properties

Compound NameN-propyl-4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butanamide
PubChem CID86653783
Molecular FormulaC30H37NO3
Molecular Weight459.63 g/mol
Exact Mass459.28
IUPAC NameN-propyl-4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butanamide
SMILESCCCNC(=O)CCCc1c(C)c(OCc2ccccc2)c(C)c(C)c1OCc1ccccc1
InChIInChI=1S/C30H37NO3/c1-5-19-31-28(32)18-12-17-27-24(4)29(33-20-25-13-8-6-9-14-25)22(2)23(3)30(27)34-21-26-15-10-7-11-16-26/h6-11,13-16H,5,12,17-21H2,1-4H3,(H,31,32)
InChIKeyPUKYGROKOJAXIV-UHFFFAOYSA-N
XLogP6.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butanamide?
The IUPAC name of N-propyl-4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butanamide (CID 86653783) is N-propyl-4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butanamide.
What is the SMILES notation for N-propyl-4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butanamide?
The canonical SMILES for N-propyl-4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butanamide is CCCNC(=O)CCCc1c(C)c(OCc2ccccc2)c(C)c(C)c1OCc1ccccc1.
What is the InChIKey of N-propyl-4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butanamide?
The InChIKey is PUKYGROKOJAXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO3/c1-5-19-31-28(32)18-12-17-27-24(4)29(33-20-25-13-8-6-9-14-25)22(2)23(3)30(27)34-21-26-15-10-7-11-16-26/h6-11,13-16H,5,12,17-21H2,1-4H3,(H,31,32).
What are the key properties of N-propyl-4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butanamide?
N-propyl-4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butanamide has a molecular weight of 459.63 g/mol, XLogP of 6.62, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butanamide is sourced from PubChem (CID 86653783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).