4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-(4-methylphenyl)pentanamide

C25H30N2O3 — CID 54400739

IUPAC4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-(4-methylphenyl)pentanamide
SMILESCc1ccc(NC(=O)CCC(C)NCC(O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C25H30N2O3/c1-18-10-13-21(14-11-18)27-25(29)15-12-19(2)26-16-22(28)17-30-24-9-5-7-20-6-3-4-8-23(20)24/h3-11,13-14,19,22,26,28H,12,15-17H2,1-2H3,(H,27,29)
InChIKeyVNGGYSQCGCPOQH-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.28
Rot. Bonds10

About 4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-(4-methylphenyl)pentanamide

4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-(4-methylphenyl)pentanamide (PubChem CID 54400739) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-(4-methylphenyl)pentanamide.

Molecular Properties

Compound Name4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-(4-methylphenyl)pentanamide
PubChem CID54400739
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-(4-methylphenyl)pentanamide
SMILESCc1ccc(NC(=O)CCC(C)NCC(O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C25H30N2O3/c1-18-10-13-21(14-11-18)27-25(29)15-12-19(2)26-16-22(28)17-30-24-9-5-7-20-6-3-4-8-23(20)24/h3-11,13-14,19,22,26,28H,12,15-17H2,1-2H3,(H,27,29)
InChIKeyVNGGYSQCGCPOQH-UHFFFAOYSA-N
XLogP4.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-6-[[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]amino]-N-[4-(trifluoromethyl)phenyl]heptanamide
CID 14485436
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 18599940
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;octadecanoic acid
CID 70496276
N-(4-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396986
methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate
CID 15578577
1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea
CID 95281049

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-(4-methylphenyl)pentanamide?
The IUPAC name of 4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-(4-methylphenyl)pentanamide (CID 54400739) is 4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-(4-methylphenyl)pentanamide.
What is the SMILES notation for 4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-(4-methylphenyl)pentanamide?
The canonical SMILES for 4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-(4-methylphenyl)pentanamide is Cc1ccc(NC(=O)CCC(C)NCC(O)COc2cccc3ccccc23)cc1.
What is the InChIKey of 4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-(4-methylphenyl)pentanamide?
The InChIKey is VNGGYSQCGCPOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-18-10-13-21(14-11-18)27-25(29)15-12-19(2)26-16-22(28)17-30-24-9-5-7-20-6-3-4-8-23(20)24/h3-11,13-14,19,22,26,28H,12,15-17H2,1-2H3,(H,27,29).
What are the key properties of 4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-(4-methylphenyl)pentanamide?
4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-(4-methylphenyl)pentanamide has a molecular weight of 406.53 g/mol, XLogP of 4.28, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-(4-methylphenyl)pentanamide is sourced from PubChem (CID 54400739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).