N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide

C23H31NO3 — CID 4949915

IUPACN-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C23H31NO3/c1-4-5-6-16-26-21-11-7-19(8-12-21)23(25)24-20-9-13-22(14-10-20)27-17-15-18(2)3/h7-14,18H,4-6,15-17H2,1-3H3,(H,24,25)
InChIKeyLVCRVIFUUIOYPW-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.93
Rot. Bonds11

About N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide

N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide (PubChem CID 4949915) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
PubChem CID4949915
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC NameN-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2ccc(OCCC(C)C)cc2)cc1
InChIInChI=1S/C23H31NO3/c1-4-5-6-16-26-21-11-7-19(8-12-21)23(25)24-20-9-13-22(14-10-20)27-17-15-18(2)3/h7-14,18H,4-6,15-17H2,1-3H3,(H,24,25)
InChIKeyLVCRVIFUUIOYPW-UHFFFAOYSA-N
XLogP5.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methylbutyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170770
N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 4951578
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
4-heptoxy-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide
CID 4951029
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 119331702
4-(3-methylbutoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097690
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide?
The IUPAC name of N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide (CID 4949915) is N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide.
What is the SMILES notation for N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide?
The canonical SMILES for N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2ccc(OCCC(C)C)cc2)cc1.
What is the InChIKey of N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide?
The InChIKey is LVCRVIFUUIOYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-4-5-6-16-26-21-11-7-19(8-12-21)23(25)24-20-9-13-22(14-10-20)27-17-15-18(2)3/h7-14,18H,4-6,15-17H2,1-3H3,(H,24,25).
What are the key properties of N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide?
N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide has a molecular weight of 369.51 g/mol, XLogP of 5.93, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide is sourced from PubChem (CID 4949915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).