N-(4-hydroxy-2-phenylpentyl)-4-(3-methylbutoxy)benzamide

C23H31NO3 — CID 71852516

IUPACN-(4-hydroxy-2-phenylpentyl)-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)NCC(CC(C)O)c2ccccc2)cc1
InChIInChI=1S/C23H31NO3/c1-17(2)13-14-27-22-11-9-20(10-12-22)23(26)24-16-21(15-18(3)25)19-7-5-4-6-8-19/h4-12,17-18,21,25H,13-16H2,1-3H3,(H,24,26)
InChIKeyHYCLGPNZENOKMN-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.40
Rot. Bonds10

About N-(4-hydroxy-2-phenylpentyl)-4-(3-methylbutoxy)benzamide

N-(4-hydroxy-2-phenylpentyl)-4-(3-methylbutoxy)benzamide (PubChem CID 71852516) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-(4-hydroxy-2-phenylpentyl)-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-phenylpentyl)-4-(3-methylbutoxy)benzamide
PubChem CID71852516
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC NameN-(4-hydroxy-2-phenylpentyl)-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)NCC(CC(C)O)c2ccccc2)cc1
InChIInChI=1S/C23H31NO3/c1-17(2)13-14-27-22-11-9-20(10-12-22)23(26)24-16-21(15-18(3)25)19-7-5-4-6-8-19/h4-12,17-18,21,25H,13-16H2,1-3H3,(H,24,26)
InChIKeyHYCLGPNZENOKMN-UHFFFAOYSA-N
XLogP4.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
4-butoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 2265354
N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride
CID 119996953
2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 6944071
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide
CID 4927529
N-methyl-4-[[4-(3-methylbutoxy)benzoyl]amino]-N-phenylbenzamide
CID 17230240
N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide
CID 78796548
N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576
N-(2-phenylbutyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 55607000
4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235614

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-phenylpentyl)-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-(4-hydroxy-2-phenylpentyl)-4-(3-methylbutoxy)benzamide (CID 71852516) is N-(4-hydroxy-2-phenylpentyl)-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-(4-hydroxy-2-phenylpentyl)-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-(4-hydroxy-2-phenylpentyl)-4-(3-methylbutoxy)benzamide is CC(C)CCOc1ccc(C(=O)NCC(CC(C)O)c2ccccc2)cc1.
What is the InChIKey of N-(4-hydroxy-2-phenylpentyl)-4-(3-methylbutoxy)benzamide?
The InChIKey is HYCLGPNZENOKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-17(2)13-14-27-22-11-9-20(10-12-22)23(26)24-16-21(15-18(3)25)19-7-5-4-6-8-19/h4-12,17-18,21,25H,13-16H2,1-3H3,(H,24,26).
What are the key properties of N-(4-hydroxy-2-phenylpentyl)-4-(3-methylbutoxy)benzamide?
N-(4-hydroxy-2-phenylpentyl)-4-(3-methylbutoxy)benzamide has a molecular weight of 369.51 g/mol, XLogP of 4.40, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-phenylpentyl)-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 71852516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).