3-amino-N-benzhydryl-2-ethyl-4-hydroxy-5-(2-methoxyphenoxy)-2-methylpentanamide

C28H34N2O4 — CID 57106530

IUPAC3-amino-N-benzhydryl-2-ethyl-4-hydroxy-5-(2-methoxyphenoxy)-2-methylpentanamide
SMILESCCC(C)(C(=O)NC(c1ccccc1)c1ccccc1)C(N)C(O)COc1ccccc1OC
InChIInChI=1S/C28H34N2O4/c1-4-28(2,26(29)22(31)19-34-24-18-12-11-17-23(24)33-3)27(32)30-25(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-18,22,25-26,31H,4,19,29H2,1-3H3,(H,30,32)
InChIKeyVNBDDDHELCWMJK-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.08
Rot. Bonds11

About 3-amino-N-benzhydryl-2-ethyl-4-hydroxy-5-(2-methoxyphenoxy)-2-methylpentanamide

3-amino-N-benzhydryl-2-ethyl-4-hydroxy-5-(2-methoxyphenoxy)-2-methylpentanamide (PubChem CID 57106530) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is 3-amino-N-benzhydryl-2-ethyl-4-hydroxy-5-(2-methoxyphenoxy)-2-methylpentanamide.

Molecular Properties

Compound Name3-amino-N-benzhydryl-2-ethyl-4-hydroxy-5-(2-methoxyphenoxy)-2-methylpentanamide
PubChem CID57106530
Molecular FormulaC28H34N2O4
Molecular Weight462.59 g/mol
Exact Mass462.25
IUPAC Name3-amino-N-benzhydryl-2-ethyl-4-hydroxy-5-(2-methoxyphenoxy)-2-methylpentanamide
SMILESCCC(C)(C(=O)NC(c1ccccc1)c1ccccc1)C(N)C(O)COc1ccccc1OC
InChIInChI=1S/C28H34N2O4/c1-4-28(2,26(29)22(31)19-34-24-18-12-11-17-23(24)33-3)27(32)30-25(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-18,22,25-26,31H,4,19,29H2,1-3H3,(H,30,32)
InChIKeyVNBDDDHELCWMJK-UHFFFAOYSA-N
XLogP4.08
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid
CID 165430264
1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 41328052
N-[1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamate
CID 19108663
methanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid
CID 70043339
1-[[1-(benzhydrylamino)-2-methylpropan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol;butanoic acid;dihydrochloride
CID 157492758
methyl (2R)-2-[[(2S)-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate
CID 10778083
methyl 2-acetamido-3-(2-methoxyphenoxy)propanoate
CID 65442964
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 95397556
methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate
CID 95313151
2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid
CID 83136429
2-acetamido-3-(2-methoxyphenoxy)propanoic acid
CID 65443160
N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride
CID 67865663

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzhydryl-2-ethyl-4-hydroxy-5-(2-methoxyphenoxy)-2-methylpentanamide?
The IUPAC name of 3-amino-N-benzhydryl-2-ethyl-4-hydroxy-5-(2-methoxyphenoxy)-2-methylpentanamide (CID 57106530) is 3-amino-N-benzhydryl-2-ethyl-4-hydroxy-5-(2-methoxyphenoxy)-2-methylpentanamide.
What is the SMILES notation for 3-amino-N-benzhydryl-2-ethyl-4-hydroxy-5-(2-methoxyphenoxy)-2-methylpentanamide?
The canonical SMILES for 3-amino-N-benzhydryl-2-ethyl-4-hydroxy-5-(2-methoxyphenoxy)-2-methylpentanamide is CCC(C)(C(=O)NC(c1ccccc1)c1ccccc1)C(N)C(O)COc1ccccc1OC.
What is the InChIKey of 3-amino-N-benzhydryl-2-ethyl-4-hydroxy-5-(2-methoxyphenoxy)-2-methylpentanamide?
The InChIKey is VNBDDDHELCWMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4/c1-4-28(2,26(29)22(31)19-34-24-18-12-11-17-23(24)33-3)27(32)30-25(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-18,22,25-26,31H,4,19,29H2,1-3H3,(H,30,32).
What are the key properties of 3-amino-N-benzhydryl-2-ethyl-4-hydroxy-5-(2-methoxyphenoxy)-2-methylpentanamide?
3-amino-N-benzhydryl-2-ethyl-4-hydroxy-5-(2-methoxyphenoxy)-2-methylpentanamide has a molecular weight of 462.59 g/mol, XLogP of 4.08, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzhydryl-2-ethyl-4-hydroxy-5-(2-methoxyphenoxy)-2-methylpentanamide is sourced from PubChem (CID 57106530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).