azane;2-benzhydryloxyacetic acid;propane

C18H25NO3 — CID 173385608

IUPACazane;2-benzhydryloxyacetic acid;propane
SMILESCCC.N.O=C(O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O3.C3H8.H3N/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-3-2;/h1-10,15H,11H2,(H,16,17);3H2,1-2H3;1H3
InChIKeyZKZBBIAFLBSJEF-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.46
Rot. Bonds5

About azane;2-benzhydryloxyacetic acid;propane

azane;2-benzhydryloxyacetic acid;propane (PubChem CID 173385608) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is azane;2-benzhydryloxyacetic acid;propane.

Molecular Properties

Compound Nameazane;2-benzhydryloxyacetic acid;propane
PubChem CID173385608
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nameazane;2-benzhydryloxyacetic acid;propane
SMILESCCC.N.O=C(O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O3.C3H8.H3N/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-3-2;/h1-10,15H,11H2,(H,16,17);3H2,1-2H3;1H3
InChIKeyZKZBBIAFLBSJEF-UHFFFAOYSA-N
XLogP4.46
TPSA81.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzhydryloxyacetic acid;N,N-dimethylethanamine
CID 173349968
azane;2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]acetic acid;propane;hydrate
CID 173385554
4-[ethoxy(phenyl)methyl]benzoic acid
CID 22745121
2-[bis(2-chlorophenyl)methoxy]acetic acid
CID 57126454
2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid
CID 2833951
(4-methylphenyl)methyl 2-benzhydryloxyacetate
CID 22159799
2-benzhydryloxy-N-(2-hydroxyphenyl)acetamide
CID 51284445
2-[(2R)-2-phenylpropoxy]acetic acid
CID 124585460
cyclopropylmethyl 2-benzhydryloxyacetate
CID 57147359
2-[4-(1-phenylpropyl)phenoxy]acetic acid
CID 101304213
bis[2-[ethoxy(phenyl)methyl]phenyl]methanone
CID 153325747
1-benzhydryloxypropan-2-ol;prop-2-enoic acid
CID 175126068

Frequently Asked Questions

What is the IUPAC name of azane;2-benzhydryloxyacetic acid;propane?
The IUPAC name of azane;2-benzhydryloxyacetic acid;propane (CID 173385608) is azane;2-benzhydryloxyacetic acid;propane.
What is the SMILES notation for azane;2-benzhydryloxyacetic acid;propane?
The canonical SMILES for azane;2-benzhydryloxyacetic acid;propane is CCC.N.O=C(O)COC(c1ccccc1)c1ccccc1.
What is the InChIKey of azane;2-benzhydryloxyacetic acid;propane?
The InChIKey is ZKZBBIAFLBSJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3.C3H8.H3N/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-3-2;/h1-10,15H,11H2,(H,16,17);3H2,1-2H3;1H3.
What are the key properties of azane;2-benzhydryloxyacetic acid;propane?
azane;2-benzhydryloxyacetic acid;propane has a molecular weight of 303.40 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-benzhydryloxyacetic acid;propane is sourced from PubChem (CID 173385608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).